(E)-2-cyano-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[4-(3-nitrophenyl)thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-[4-(3-nitrophenyl)-2-thiazolyl]-3-(2-propoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-[4-(3-nitrophenyl)thiazol-2-yl]-3-(2-propoxyphenyl)acrylamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S/c1-2-10-30-20-9-4-3-6-16(20)11-17(13-23)21(27)25-22-24-19(14-31-22)15-7-5-8-18(12-15)26(28)29/h3-9,11-12,14H,2,10H2,1H3,(H,24,25,27)/b17-11+