AC1LWPFJ

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Also Known As: BAS 02138563|N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((4-phenyl-5-((p-tolylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide|N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-2-(5-{[(4-methylphenyl)am ino]methyl}-4-phenyl(1,2,4-triazol-3-ylthio))acetamide|N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-[4-phenyl-5-(p-tolylamino-methyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide

Molecular Formula	C27H26N6OS2
Molecular Weight	514.16095 g/mol
LogP	5.7306
Topological Polar Surface Area	95.63 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	514.16095
Monoisotopic Mass	514.16095
Heavy Atoms	36
Complexity	1402.7893

Chemical Identifiers

CAS Number	333313-72-7
SMILES	CC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C5=C(S4)CCCC5)C#N