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

Systemtic Name: 4-methyl-3-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-methyl-5-(p-tolyl)-1,2,4-triazole CAS Name: 4-methyl-3-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-methyl-5-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-methyl-5-(p-tolyl)-1,2,4-triazole Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3S/c1-13-8-10-15(11-9-13)16-18-19-17(20(16)2)21-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3