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

Systemtic Name: 1-(4-fluorophenyl)carbonyl-3-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: 1-(4-fluorobenzoyl)-3-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: 1-(4-fluorobenzoyl)-3-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: 1-(4-fluorobenzoyl)-3-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C18H21FN4O2S MolecularWeight: 376.448343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C1=NC(=NN1)SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN4O2S/c1-11(2)15-20-18(22-21-15)26-14-5-3-4-10-23(17(14)25)16(24)12-6-8-13(19)9-7-12/h6-9,11,14H,3-5,10H2,1-2H3,(H,20,21,22)