4-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]aniline

Systemtic Name: 4-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]aniline Openeye Name: 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)aniline CAS Name: 4-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]aniline IUPAC Name: 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)aniline Traditional Name: [4-[5-(benzylthio)-4-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(=NN=C1SCC2=CC=CC=C2)C3=CC=C(C=C3)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=C(C=C3)N

InChI

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