[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]-(2-thioxo-3-pyridylidene)methanolate Formula: C20H24N3O3S2- MolecularWeight: 418.55286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=C3C=CC=NC3=S)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=C3C=CC=NC3=S)[O-]

InChI

InChI=1S/C20H25N3O3S2/c1-3-15(2)16-6-8-17(9-7-16)28(25,26)23-13-11-22(12-14-23)20(24)18-5-4-10-21-19(18)27/h4-10,15,24H,3,11-14H2,1-2H3/p-1/t15-/m0/s1