4-phenyl-3-[2-(phenylmethylsulfanyl)ethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-phenyl-3-[2-(phenylmethylsulfanyl)ethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(2-benzylsulfanylethyl)-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-phenyl-3-[2-(phenylmethylthio)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-benzylsulfanylethyl)-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-(benzylthio)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C17H17N3S2 MolecularWeight: 327.46698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC2=NNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSCCC2=NNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C17H17N3S2/c21-17-19-18-16(20(17)15-9-5-2-6-10-15)11-12-22-13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,21)