[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-methylpiperidine-1-carbodithioate

Systemtic Name: [2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-methylpiperidine-1-carbodithioate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-methylpiperidine-1-carbodithioate CAS Name: 2-methyl-1-piperidinecarbodithioic acid [2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-methylpiperidine-1-carbodithioate Traditional Name: 2-methylpiperidine-1-carbodithioic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl] ester Formula: C20H26N4O2S2 MolecularWeight: 418.57604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=S)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1CCCCN1C(=S)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C20H26N4O2S2/c1-14-9-7-8-12-23(14)20(27)28-13-17(25)21-18-15(2)22(3)24(19(18)26)16-10-5-4-6-11-16/h4-6,10-11,14H,7-9,12-13H2,1-3H3,(H,21,25)