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

Systemtic Name: 4-(4-chlorophenyl)-3-[(2,5-dimethylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-(4-chlorophenyl)-3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-[(2,5-dimethylphenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-(4-chlorophenyl)-3-[(2,5-dimethylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-(4-chlorophenyl)-3-[(2,5-dimethylbenzyl)thio]-5-(2-thienyl)-1,2,4-triazole Formula: C21H18ClN3S2 MolecularWeight: 411.97072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C21H18ClN3S2/c1-14-5-6-15(2)16(12-14)13-27-21-24-23-20(19-4-3-11-26-19)25(21)18-9-7-17(22)8-10-18/h3-12H,13H2,1-2H3