N-(3-chloranyl-4-cyano-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-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=CC(=C(C=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C#N

InChI

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