AC1LUL5R

(Z)-3-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

Also Known As: (2Z)-3-{4-[(2-cyanobenzyl)oxy]-3-methoxyphenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate|(2Z)-3-{4-[(2-cyanobenzyl)oxy]-3-methoxyphenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid|(Z)-3-(4-((2-cyanobenzyl)oxy)-3-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid|(Z)-3-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

Molecular Formula	C21H18N4O4S
Molecular Weight	422.1049 g/mol
LogP	3.7902
Topological Polar Surface Area	121.12 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	422.1049
Monoisotopic Mass	422.1049
Heavy Atoms	30
Complexity	1134.0302

Chemical Identifiers

CAS Number	577761-90-1
SMILES	CC1=NC(=NN1)S/C(=C\C2=CC(=C(C=C2)OCC3=CC=CC=C3C#N)OC)/C(=O)O