2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-ethanamide

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-ethanamide Openeye Name: 2-[[4-allyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-acetamide CAS Name: 2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide Traditional Name: 2-[[4-allyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopentyl-acetamide Formula: C18H21ClN4OS MolecularWeight: 376.90354

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2CCCC2)C3=CC=CC=C3Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2CCCC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H21ClN4OS/c1-2-11-23-17(14-9-5-6-10-15(14)19)21-22-18(23)25-12-16(24)20-13-7-3-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,20,24)