(E)-3-(3-nitrophenyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)acrylamide Formula: C19H12N4O5S MolecularWeight: 408.38738

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H12N4O5S/c1-2-10-21-16-8-7-15(23(27)28)12-17(16)29-19(21)20-18(24)9-6-13-4-3-5-14(11-13)22(25)26/h1,3-9,11-12H,10H2/b9-6+,20-19?