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

Systemtic Name: 3-(3-chlorophenyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(3-chlorophenyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(3-chlorophenyl)-5-[(3,4-dimethylphenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(3-chlorophenyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(3-chlorophenyl)-5-[(3,4-dimethylbenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C23H20ClN3S MolecularWeight: 405.943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C

InChI

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