1-cyclohexyl-2-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-cyclohexyl-2-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-cyclohexyl-2-[[4-(3,4-dichlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-cyclohexyl-2-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-cyclohexyl-2-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-cyclohexyl-2-[[4-(3,4-dichlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H20Cl2N4OS MolecularWeight: 447.3807

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)CSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)CSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=NC=C4

InChI

InChI=1S/C21H20Cl2N4OS/c22-17-7-6-16(12-18(17)23)27-20(15-8-10-24-11-9-15)25-26-21(27)29-13-19(28)14-4-2-1-3-5-14/h6-12,14H,1-5,13H2