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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC=C3

InChI

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