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

Systemtic Name: [2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] piperidine-1-carbodithioate Openeye Name: [2-oxo-2-[3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl] piperidine-1-carbodithioate CAS Name: 1-piperidinecarbodithioic acid [2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] piperidine-1-carbodithioate Traditional Name: piperidine-1-carbodithioic acid [2-keto-2-[5-(p-tolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl] ester Formula: C22H25N3OS3 MolecularWeight: 443.6484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC(=S)N3CCCCC3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC(=S)N3CCCCC3)C4=CC=CS4

InChI

InChI=1S/C22H25N3OS3/c1-16-7-9-17(10-8-16)19-14-18(20-6-5-13-28-20)23-25(19)21(26)15-29-22(27)24-11-3-2-4-12-24/h5-10,13,19H,2-4,11-12,14-15H2,1H3