4-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethoxy]-3-methoxy-benzaldehyde

Systemtic Name: 4-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethoxy]-3-methoxy-benzaldehyde Openeye Name: 4-[2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethoxy]-3-methoxy-benzaldehyde CAS Name: 4-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethoxy]-3-methoxybenzaldehyde IUPAC Name: 4-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethoxy]-3-methoxybenzaldehyde Traditional Name: 4-[2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethoxy]-3-methoxy-benzaldehyde Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C21H18N2O4S2/c1-26-18-10-14(12-24)6-7-17(18)27-13-21(25)23-16(20-5-3-9-29-20)11-15(22-23)19-4-2-8-28-19/h2-10,12,16H,11,13H2,1H3