1-(4-chlorophenyl)carbonyl-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one

Systemtic Name: 1-(4-chlorophenyl)carbonyl-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: 1-(4-chlorobenzoyl)-3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: 1-(4-chlorobenzoyl)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: 1-(4-chlorobenzoyl)-3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C21H21ClN4O2S2 MolecularWeight: 461.00004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C21H21ClN4O2S2/c1-2-25-18(16-7-5-13-29-16)23-24-21(25)30-17-6-3-4-12-26(20(17)28)19(27)14-8-10-15(22)11-9-14/h5,7-11,13,17H,2-4,6,12H2,1H3