AC1LQTCR

(E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

Also Known As: (E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid|(2E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate|(E)-3-[5-(5-Chloro-2-methyl-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid|(E)-3-(5-(5-chloro-2-methylphenyl)furan-2-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid|(E)-3-[5-(5-chloranyl-2-methyl-phenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid|(E)-3-[5-(5-chloro-2-methyl-phenyl)-2-furyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylic acid|(E)-3-[5-(5-chloro-2-methylphenyl)-2-furanyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid

Molecular Formula	C17H14ClN3O3S
Molecular Weight	375.04443 g/mol
LogP	4.55274
Topological Polar Surface Area	92.01 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	375.04443
Monoisotopic Mass	375.04443
Heavy Atoms	25
Complexity	961.71124

Chemical Identifiers

CAS Number	577998-31-3
SMILES	CC1=C(C=C(C=C1)Cl)C2=CC=C(O2)/C=C(\C(=O)O)/SC3=NNC(=N3)C