N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-4-cyano-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-4-cyano-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-4-cyano-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitrophenyl]-4-cyanobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitrophenyl]-4-cyanobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-4-cyano-benzamide Formula: C21H12N4O3S MolecularWeight: 400.40998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H12N4O3S/c22-12-13-5-7-14(8-6-13)20(26)23-18-11-15(25(27)28)9-10-16(18)21-24-17-3-1-2-4-19(17)29-21/h1-11H,(H,23,26)