3-[(2-methylphenyl)methylsulfanyl]-N-phenyl-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(2-methylphenyl)methylsulfanyl]-N-phenyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-(o-tolylmethylsulfanyl)-N-phenyl-1H-1,2,4-triazol-5-amine CAS Name: 3-[(2-methylphenyl)methylthio]-N-phenyl-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(2-methylphenyl)methylsulfanyl]-N-phenyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(2-methylbenzyl)thio]-1H-1,2,4-triazol-5-yl]-phenyl-amine Formula: C16H16N4S MolecularWeight: 296.39004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NNC(=N2)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CSC2=NNC(=N2)NC3=CC=CC=C3

InChI

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