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

Systemtic Name: 2-[[4-(3-chloranyl-4-methyl-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[4-(3-chloro-4-methyl-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[4-(3-chloro-4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[4-(3-chloro-4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[4-(3-chloro-4-methyl-phenyl)-5-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:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)NC3CCCCC3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)NC3CCCCC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H25ClN4OS/c1-16-12-13-19(14-20(16)24)28-22(17-8-4-2-5-9-17)26-27-23(28)30-15-21(29)25-18-10-6-3-7-11-18/h2,4-5,8-9,12-14,18H,3,6-7,10-11,15H2,1H3,(H,25,29)