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

Systemtic Name: 3-(3-chlorophenyl)-4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(3-chlorophenyl)-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-(3-chlorophenyl)-4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(3-chlorophenyl)-4-(p-tolyl)-1,2,4-triazole Formula: C22H18ClN3S MolecularWeight: 391.91642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3S/c1-16-10-12-20(13-11-16)26-21(18-8-5-9-19(23)14-18)24-25-22(26)27-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3