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

Systemtic Name: O-propan-2-yl [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-isopropyl [2-[3-(2-furyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[3-(2-furanyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-[5-(2-furyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]methanethioic acid O-isopropyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CO3

Isomeric SMILES

CC(C)OC(=S)SCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CO3

InChI

InChI=1S/C20H22N2O4S2/c1-13(2)26-20(27)28-12-19(23)22-17(18-5-4-10-25-18)11-16(21-22)14-6-8-15(24-3)9-7-14/h4-10,13,17H,11-12H2,1-3H3