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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)NC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NC(=N1)NC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

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