(4-pyridin-3-ylsulfonylpiperazin-1-yl)-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: (4-pyridin-3-ylsulfonylpiperazin-1-yl)-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [4-(3-pyridylsulfonyl)piperazin-1-yl]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [4-(3-pyridinylsulfonyl)-1-piperazinyl]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: (4-pyridin-3-ylsulfonylpiperazin-1-yl)-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [4-(3-pyridylsulfonyl)piperazino]-(2-thioxo-3-pyridylidene)methanolate Formula: C15H15N4O3S2- MolecularWeight: 363.4346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=C2C=CC=NC2=S)[O-])S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1C(=C2C=CC=NC2=S)[O-])S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C15H16N4O3S2/c20-15(13-4-2-6-17-14(13)23)18-7-9-19(10-8-18)24(21,22)12-3-1-5-16-11-12/h1-6,11,20H,7-10H2/p-1