sodium 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(6-nitro-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]pyrimidin-4-olate

Systemtic Name: sodium 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(6-nitro-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]pyrimidin-4-olate Openeye Name: sodium 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(6-nitro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]pyrimidin-4-olate CAS Name: sodium 6-[[(4-chlorophenyl)thio]methyl]-2-[(6-nitro-2-oxo-4-phenyl-1H-quinolin-3-yl)thio]-4-pyrimidinolate IUPAC Name: sodium 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(6-nitro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]pyrimidin-4-olate Traditional Name: sodium 6-[[(4-chlorophenyl)thio]methyl]-2-[(2-keto-6-nitro-4-phenyl-1H-quinolin-3-yl)thio]pyrimidin-4-olate Formula: C26H16ClN4NaO4S2 MolecularWeight: 571.00241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])SC4=NC(=CC(=N4)[O-])CSC5=CC=C(C=C5)Cl.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])SC4=NC(=CC(=N4)[O-])CSC5=CC=C(C=C5)Cl.[Na+]

InChI

InChI=1S/C26H17ClN4O4S2.Na/c27-16-6-9-19(10-7-16)36-14-17-12-22(32)30-26(28-17)37-24-23(15-4-2-1-3-5-15)20-13-18(31(34)35)8-11-21(20)29-25(24)33;/h1-13H,14H2,(H,29,33)(H,28,30,32);/q;+1/p-1