(E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(1,3-diphenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)acrylamide Formula: C26H17N5OS MolecularWeight: 447.51108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C26H17N5OS/c27-16-19(25(32)29-26-28-22-13-7-8-14-23(22)33-26)15-20-17-31(21-11-5-2-6-12-21)30-24(20)18-9-3-1-4-10-18/h1-15,17H,(H,28,29,32)/b19-15+