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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-fluoro-phenyl)acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-fluoro-phenyl)acetamide Formula: C18H20ClFN4OS MolecularWeight: 394.894003

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)C3CCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)C3CCCC3

InChI

InChI=1S/C18H20ClFN4OS/c1-2-9-24-17(12-5-3-4-6-12)22-23-18(24)26-11-16(25)21-13-7-8-15(20)14(19)10-13/h2,7-8,10,12H,1,3-6,9,11H2,(H,21,25)