N-[(2-methylphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline

Systemtic Name: N-[(2-methylphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Openeye Name: N-(o-tolylmethyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline CAS Name: N-[(2-methylphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylthio)aniline IUPAC Name: N-[(2-methylphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Traditional Name: (2-methylbenzyl)-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]amine Formula: C16H16N4S MolecularWeight: 296.39004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC2=CC=C(C=C2)SC3=NC=NN3

Isomeric SMILES

CC1=CC=CC=C1CNC2=CC=C(C=C2)SC3=NC=NN3

InChI

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