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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloranyl-4-methoxy-phenyl)-2-phenyl-ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-methoxy-phenyl)-2-phenyl-acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-methoxy-phenyl)-2-phenyl-acetamide Formula: C23H26ClN5O2S MolecularWeight: 472.00284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C4CCCCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C4CCCCC4)Cl

InChI

InChI=1S/C23H26ClN5O2S/c1-31-19-13-12-17(14-18(19)24)26-22(30)20(15-8-4-2-5-9-15)32-23-28-27-21(29(23)25)16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16,20H,3,6-7,10-11,25H2,1H3,(H,26,30)