[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-[3-(3,4-dimethylphenyl)-5-phenyl-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C24H27N3OS2 MolecularWeight: 437.62068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CSC(=S)N4CCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CSC(=S)N4CCCC4)C

InChI

InChI=1S/C24H27N3OS2/c1-17-10-11-20(14-18(17)2)21-15-22(19-8-4-3-5-9-19)27(25-21)23(28)16-30-24(29)26-12-6-7-13-26/h3-5,8-11,14,22H,6-7,12-13,15-16H2,1-2H3