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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C23H25ClN4OS/c1-16-12-13-18(24)14-20(16)25-21(29)15-30-23-27-26-22(17-8-4-2-5-9-17)28(23)19-10-6-3-7-11-19/h3,6-7,10-14,17H,2,4-5,8-9,15H2,1H3,(H,25,29)