O-propan-2-yl [2-[1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-propan-2-yl [2-[1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-isopropyl [2-[1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl [2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-keto-2-[1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2,5-dimethyl-pyrrol-3-yl]ethyl]thio]methanethioic acid O-isopropyl ester Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CSC(=S)OC(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CSC(=S)OC(C)C

InChI

InChI=1S/C23H27N3O3S2/c1-14(2)29-23(30)31-13-20(27)19-12-15(3)25(16(19)4)21-17(5)24(6)26(22(21)28)18-10-8-7-9-11-18/h7-12,14H,13H2,1-6H3