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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC(=S)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC(=S)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S2/c1-29-20-12-10-19(11-13-20)22-16-21(18-8-4-2-5-9-18)25-27(22)23(28)17-31-24(30)26-14-6-3-7-15-26/h2,4-5,8-13,22H,3,6-7,14-17H2,1H3