3-(3-chlorophenyl)-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(3-chlorophenyl)-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(3-chlorophenyl)-5-(m-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-(3-chlorophenyl)-4-(4-methylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(3-chlorophenyl)-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(3-chlorophenyl)-5-[(3-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazole Formula: C23H20ClN3S MolecularWeight: 405.943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H20ClN3S/c1-16-9-11-21(12-10-16)27-22(19-7-4-8-20(24)14-19)25-26-23(27)28-15-18-6-3-5-17(2)13-18/h3-14H,15H2,1-2H3