N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H21ClN4O3S MolecularWeight: 396.89164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=NNC(=N2)C3CCCC3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=NNC(=N2)C3CCCC3)OC)Cl

InChI

InChI=1S/C17H21ClN4O3S/c1-24-13-8-12(14(25-2)7-11(13)18)19-15(23)9-26-17-20-16(21-22-17)10-5-3-4-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,19,23)(H,20,21,22)