5-(4-methylphenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-(4-methylphenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 5-(4-methylphenyl)-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(p-tolyl)-1H-1,2,4-triazole Formula: C16H15N3S MolecularWeight: 281.3754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3

InChI

InChI=1S/C16H15N3S/c1-12-7-9-14(10-8-12)15-17-16(19-18-15)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18,19)