[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C22H17N3O5S2 MolecularWeight: 467.51748

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)C=CC3=CC=CC=C3[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C22H17N3O5S2/c26-21(14-30-22(27)10-9-15-5-1-2-6-17(15)25(28)29)24-18(20-8-4-12-32-20)13-16(23-24)19-7-3-11-31-19/h1-12,18H,13-14H2/b10-9+