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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC(=NN2)SCC3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC(=NN2)SCC3=CC=CC=C3

InChI

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