1-(4-fluorophenyl)carbonyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]azepan-2-one

Systemtic Name: 1-(4-fluorophenyl)carbonyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]azepan-2-one Openeye Name: 1-(4-fluorobenzoyl)-3-(1-methyltetrazol-5-yl)sulfanyl-azepan-2-one CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-[(1-methyl-5-tetrazolyl)thio]-2-azepanone IUPAC Name: 1-(4-fluorobenzoyl)-3-(1-methyltetrazol-5-yl)sulfanylazepan-2-one Traditional Name: 1-(4-fluorobenzoyl)-3-[(1-methyltetrazol-5-yl)thio]azepan-2-one Formula: C15H16FN5O2S MolecularWeight: 349.383243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=NN=N1)SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C15H16FN5O2S/c1-20-15(17-18-19-20)24-12-4-2-3-9-21(14(12)23)13(22)10-5-7-11(16)8-6-10/h5-8,12H,2-4,9H2,1H3