[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-yl]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazinyl]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [4-(4-bromo-2-chloro-phenyl)sulfonylpiperazino]-(2-thioxo-3-pyridylidene)methanolate Formula: C16H14BrClN3O3S2- MolecularWeight: 475.78766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=C2C=CC=NC2=S)[O-])S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CCN1C(=C2C=CC=NC2=S)[O-])S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C16H15BrClN3O3S2/c17-11-3-4-14(13(18)10-11)26(23,24)21-8-6-20(7-9-21)16(22)12-2-1-5-19-15(12)25/h1-5,10,22H,6-9H2/p-1