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

Systemtic Name: 4-methyl-3-[(phenylmethylsulfanyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(benzylsulfanylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione CAS Name: 4-methyl-3-[(phenylmethylthio)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(benzylsulfanylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(benzylthio)methyl]-4-methyl-1H-1,2,4-triazole-5-thione Formula: C11H13N3S2 MolecularWeight: 251.37102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)CSCC2=CC=CC=C2

Isomeric SMILES

CN1C(=NNC1=S)CSCC2=CC=CC=C2

InChI

InChI=1S/C11H13N3S2/c1-14-10(12-13-11(14)15)8-16-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,15)