3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazole Openeye Name: 4-(4-chlorophenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(m-tolyl)-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-[(2,6-dichlorophenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole IUPAC Name: 4-(4-chlorophenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazole Traditional Name: 4-(4-chlorophenyl)-3-[(2,6-dichlorobenzyl)thio]-5-(m-tolyl)-1,2,4-triazole Formula: C22H16Cl3N3S MolecularWeight: 460.80654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=C(C=CC=C4Cl)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C22H16Cl3N3S/c1-14-4-2-5-15(12-14)21-26-27-22(28(21)17-10-8-16(23)9-11-17)29-13-18-19(24)6-3-7-20(18)25/h2-12H,13H2,1H3