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

Systemtic Name: [2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] morpholine-4-carbodithioate Openeye Name: [2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] morpholine-4-carbodithioate CAS Name: 4-morpholinecarbodithioic 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] morpholine-4-carbodithioate Traditional Name: morpholine-4-carbodithioic acid [2-[3-(3,4-dimethylphenyl)-5-phenyl-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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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)N4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CSC(=S)N4CCOCC4)C

InChI

InChI=1S/C24H27N3O2S2/c1-17-8-9-20(14-18(17)2)21-15-22(19-6-4-3-5-7-19)27(25-21)23(28)16-31-24(30)26-10-12-29-13-11-26/h3-9,14,22H,10-13,15-16H2,1-2H3