2-[2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-3-oxidanylidene-1H-pyrazol-4-yl]quinolin-4-olate

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-3-oxidanylidene-1H-pyrazol-4-yl]quinolin-4-olate Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-3-oxo-1H-pyrazol-4-yl]quinolin-4-olate CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-5-[[(4-chlorophenyl)thio]methyl]-3-oxo-1H-pyrazol-4-yl]-4-quinolinolate IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-3-oxo-1H-pyrazol-4-yl]quinolin-4-olate Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)-3-[[(4-chlorophenyl)thio]methyl]-5-keto-3-pyrazolin-4-yl]quinolin-4-olate Formula: C26H16ClN4O2S2- MolecularWeight: 516.01384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=C(NN(C3=O)C4=NC5=CC=CC=C5S4)CSC6=CC=C(C=C6)Cl)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=C(NN(C3=O)C4=NC5=CC=CC=C5S4)CSC6=CC=C(C=C6)Cl)[O-]

InChI

InChI=1S/C26H17ClN4O2S2/c27-15-9-11-16(12-10-15)34-14-21-24(20-13-22(32)17-5-1-2-6-18(17)28-20)25(33)31(30-21)26-29-19-7-3-4-8-23(19)35-26/h1-13,30H,14H2,(H,28,32)/p-1