N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-3-(3-nitrophenyl)acrylamide Formula: C22H14IN3O3S MolecularWeight: 527.33433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H14IN3O3S/c23-15-9-10-18(17(13-15)22-25-19-6-1-2-7-20(19)30-22)24-21(27)11-8-14-4-3-5-16(12-14)26(28)29/h1-13H,(H,24,27)