2-[(7-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-methyl-5-prop-2-enyl-pyrimidin-4-olate

Systemtic Name: 2-[(7-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-methyl-5-prop-2-enyl-pyrimidin-4-olate Openeye Name: 5-allyl-2-[(7-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(7-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)thio]-6-methyl-5-prop-2-enyl-4-pyrimidinolate IUPAC Name: 2-[(7-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-methyl-5-prop-2-enylpyrimidin-4-olate Traditional Name: 5-allyl-2-[(7-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)thio]-6-methyl-pyrimidin-4-olate Formula: C23H17ClN3O2S- MolecularWeight: 434.91798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC2=C(C3=C(C=C(C=C3)Cl)NC2=O)C4=CC=CC=C4)[O-])CC=C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC2=C(C3=C(C=C(C=C3)Cl)NC2=O)C4=CC=CC=C4)[O-])CC=C

InChI

InChI=1S/C23H18ClN3O2S/c1-3-7-16-13(2)25-23(27-21(16)28)30-20-19(14-8-5-4-6-9-14)17-11-10-15(24)12-18(17)26-22(20)29/h3-6,8-12H,1,7H2,2H3,(H,26,29)(H,25,27,28)/p-1