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

Systemtic Name: 3-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]-1,2,4-triazin-5-olate Openeye Name: 3-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-1,2,4-triazin-5-olate CAS Name: 3-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-1,2,4-triazin-5-olate Traditional Name: 3-[(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)thio]-1,2,4-triazin-5-olate Formula: C18H10ClN4O2S- MolecularWeight: 381.8156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)SC4=NC(=CN=N4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)SC4=NC(=CN=N4)[O-]

InChI

InChI=1S/C18H11ClN4O2S/c19-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)16(17(25)21-13)26-18-22-14(24)9-20-23-18/h1-9H,(H,21,25)(H,22,23,24)/p-1