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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C17H21ClN4O2S MolecularWeight: 380.89224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CCSC2=NNC(=N2)C3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CCSC2=NNC(=N2)C3CCCC3

InChI

InChI=1S/C17H21ClN4O2S/c1-24-14-7-6-12(18)10-13(14)19-15(23)8-9-25-17-20-16(21-22-17)11-4-2-3-5-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,19,23)(H,20,21,22)