N-(2-methylphenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: N-(2-methylphenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-benzylsulfanyl-N-(o-tolyl)-1H-1,2,4-triazol-5-amine CAS Name: N-(2-methylphenyl)-3-(phenylmethylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-benzylsulfanyl-N-(2-methylphenyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-(benzylthio)-1H-1,2,4-triazol-5-yl]-(o-tolyl)amine Formula: C16H16N4S MolecularWeight: 296.39004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NN2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NN2)SCC3=CC=CC=C3

InChI

InChI=1S/C16H16N4S/c1-12-7-5-6-10-14(12)17-15-18-16(20-19-15)21-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,17,18,19,20)