[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [4-(2,4-dimethylbenzoyl)-1-piperidyl]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidinyl]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [4-(2,4-dimethylbenzoyl)piperidin-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [4-(2,4-dimethylbenzoyl)piperidino]-(2-thioxo-3-pyridylidene)methanolate Formula: C20H21N2O2S- MolecularWeight: 353.45794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=C3C=CC=NC3=S)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=C3C=CC=NC3=S)[O-])C

InChI

InChI=1S/C20H22N2O2S/c1-13-5-6-16(14(2)12-13)18(23)15-7-10-22(11-8-15)20(24)17-4-3-9-21-19(17)25/h3-6,9,12,15,24H,7-8,10-11H2,1-2H3/p-1