N-(5-chloranyl-2-cyano-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C16H9ClN4O3S2 MolecularWeight: 404.85066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C16H9ClN4O3S2/c17-10-2-1-9(7-18)13(5-10)19-15(22)8-25-16-20-12-4-3-11(21(23)24)6-14(12)26-16/h1-6H,8H2,(H,19,22)