4-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[2-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethoxy]-3-methoxy-benzonitrile CAS Name: 4-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3-methoxybenzonitrile IUPAC Name: 4-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3-methoxybenzonitrile Traditional Name: 4-[2-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethoxy]-3-methoxy-benzonitrile Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)COC3=C(C=C(C=C3)C#N)OC)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)COC3=C(C=C(C=C3)C#N)OC)C4=CC=CS4)OC

InChI

InChI=1S/C25H23N3O5S/c1-30-20-9-7-17(12-23(20)32-3)19-13-18(24-5-4-10-34-24)27-28(19)25(29)15-33-21-8-6-16(14-26)11-22(21)31-2/h4-12,19H,13,15H2,1-3H3