(E)-N-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-N-(2-pyrazol-1-ylethyl)prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-N-(2-pyrazol-1-ylethyl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-N-(2-pyrazol-1-ylethyl)prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-N-[2-(1-pyrazolyl)ethyl]-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-N-(2-pyrazol-1-ylethyl)prop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-N-(2-pyrazol-1-ylethyl)acrylamide Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O3S/c27-20(10-9-16-5-3-6-17(15-16)26(28)29)25(14-13-24-12-4-11-22-24)21-23-18-7-1-2-8-19(18)30-21/h1-12,15H,13-14H2/b10-9+