N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C18H13FN4O3S2 MolecularWeight: 416.449223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCC#N)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1N(CCC#N)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C18H13FN4O3S2/c19-12-2-4-13(5-3-12)22(9-1-8-20)17(24)11-27-18-21-15-7-6-14(23(25)26)10-16(15)28-18/h2-7,10H,1,9,11H2