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

Systemtic Name: [2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] piperidine-1-carbodithioate Openeye Name: [2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] piperidine-1-carbodithioate CAS Name: 1-piperidinecarbodithioic 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] piperidine-1-carbodithioate Traditional Name: piperidine-1-carbodithioic acid [2-[3-(3,4-dimethylphenyl)-5-phenyl-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C25H29N3OS2 MolecularWeight: 451.64726

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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)N4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CSC(=S)N4CCCCC4)C

InChI

InChI=1S/C25H29N3OS2/c1-18-11-12-21(15-19(18)2)22-16-23(20-9-5-3-6-10-20)28(26-22)24(29)17-31-25(30)27-13-7-4-8-14-27/h3,5-6,9-12,15,23H,4,7-8,13-14,16-17H2,1-2H3