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

Systemtic Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(5-methyl-2-nitro-phenoxy)ethanone Openeye Name: 1-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(5-methyl-2-nitro-phenoxy)ethanone CAS Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(5-methyl-2-nitrophenoxy)ethanone IUPAC Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(5-methyl-2-nitrophenoxy)ethanone Traditional Name: 1-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-(5-methyl-2-nitro-phenoxy)ethanone Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C20H17N3O4S2/c1-13-6-7-15(23(25)26)17(10-13)27-12-20(24)22-16(19-5-3-9-29-19)11-14(21-22)18-4-2-8-28-18/h2-10,16H,11-12H2,1H3