2-[[5-[(4-chlorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[[5-[(4-chlorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[5-[(4-chlorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-[(4-chlorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-[(4-chlorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[5-(4-chlorobenzyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C23H25ClN4OS MolecularWeight: 440.9888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN4OS/c24-18-13-11-17(12-14-18)15-21-26-27-23(28(21)20-9-5-2-6-10-20)30-16-22(29)25-19-7-3-1-4-8-19/h2,5-6,9-14,19H,1,3-4,7-8,15-16H2,(H,25,29)