2-(4-chloranyl-2-nitro-phenoxy)-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-(4-chloranyl-2-nitro-phenoxy)-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 1-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(4-chloro-2-nitro-phenoxy)ethanone CAS Name: 2-(4-chloro-2-nitrophenoxy)-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(4-chloro-2-nitrophenoxy)-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 1-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-(4-chloro-2-nitro-phenoxy)ethanone Formula: C19H14ClN3O4S2 MolecularWeight: 447.91516

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C19H14ClN3O4S2/c20-12-5-6-16(14(9-12)23(25)26)27-11-19(24)22-15(18-4-2-8-29-18)10-13(21-22)17-3-1-7-28-17/h1-9,15H,10-11H2