3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)carbonyl-azepan-2-one

Systemtic Name: 3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)carbonyl-azepan-2-one Openeye Name: 3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorobenzoyl)azepan-2-one CAS Name: 3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-[(4-fluorophenyl)-oxomethyl]-2-azepanone IUPAC Name: 3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorobenzoyl)azepan-2-one Traditional Name: 3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-fluorobenzoyl)azepan-2-one Formula: C20H23FN4O2S MolecularWeight: 402.485623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H23FN4O2S/c21-15-10-8-14(9-11-15)18(26)25-12-4-3-7-16(19(25)27)28-20-22-17(23-24-20)13-5-1-2-6-13/h8-11,13,16H,1-7,12H2,(H,22,23,24)