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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-acetamide Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)C4CCCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)C4CCCC4)Cl

InChI

InChI=1S/C22H23ClN4O2S/c1-29-18-12-11-16(13-17(18)23)24-21(28)19(14-7-3-2-4-8-14)30-22-25-20(26-27-22)15-9-5-6-10-15/h2-4,7-8,11-13,15,19H,5-6,9-10H2,1H3,(H,24,28)(H,25,26,27)