O-propan-2-yl [2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-propan-2-yl [2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-isopropyl [2-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl [2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]methanethioic acid O-isopropyl ester Formula: C21H24N2O4S3 MolecularWeight: 464.62126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)OC(=S)SCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H24N2O4S3/c1-13(2)27-21(28)30-12-20(24)23-16(11-15(22-23)19-6-5-9-29-19)14-7-8-17(25-3)18(10-14)26-4/h5-10,13,16H,11-12H2,1-4H3