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

Systemtic Name: 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(3,4-dichlorophenyl)acetamide IUPAC Name: 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3,4-dichlorophenyl)acetamide Formula: C21H21Cl2N5OS MolecularWeight: 462.39534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C4=CN=CC=C4

InChI

InChI=1S/C21H21Cl2N5OS/c22-17-9-8-15(11-18(17)23)25-19(29)13-30-21-27-26-20(14-5-4-10-24-12-14)28(21)16-6-2-1-3-7-16/h4-5,8-12,16H,1-3,6-7,13H2,(H,25,29)