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

Systemtic Name: N-(cyanomethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-phenyl-acetamide Formula: C17H12N4O3S2 MolecularWeight: 384.43218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N4O3S2/c18-8-9-20(12-4-2-1-3-5-12)16(22)11-25-17-19-14-7-6-13(21(23)24)10-15(14)26-17/h1-7,10H,9,11H2