(E)-3-(4-chlorophenyl)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-chlorophenyl)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(4-chlorophenyl)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)acrylamide Formula: C17H9ClN4O3S MolecularWeight: 384.79636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H9ClN4O3S/c18-12-3-1-10(2-4-12)7-11(9-19)16(23)21-17-20-14-6-5-13(22(24)25)8-15(14)26-17/h1-8H,(H,20,21,23)/b11-7+