3-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-methyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)thio]-6-methyl-1,2,4-triazin-5-olate Formula: C19H12ClN4O2S- MolecularWeight: 395.84218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClN4O2S/c1-10-17(25)22-19(24-23-10)27-16-15(11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)21-18(16)26/h2-9H,1H3,(H,21,26)(H,22,24,25)/p-1