5-oxidanylidene-6-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-2H-1,2,4-triazin-3-olate

Systemtic Name: 5-oxidanylidene-6-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-2H-1,2,4-triazin-3-olate Openeye Name: 5-oxo-6-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-2H-1,2,4-triazin-3-olate CAS Name: 5-oxo-6-[(4-oxo-1H-quinazolin-2-yl)methylthio]-2H-1,2,4-triazin-3-olate IUPAC Name: 5-oxo-6-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-2H-1,2,4-triazin-3-olate Traditional Name: 5-keto-6-[(4-keto-1H-quinazolin-2-yl)methylthio]-2H-1,2,4-triazin-3-olate Formula: C12H8N5O3S- MolecularWeight: 302.28862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NNC(=NC3=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NNC(=NC3=O)[O-]

InChI

InChI=1S/C12H9N5O3S/c18-9-6-3-1-2-4-7(6)13-8(14-9)5-21-11-10(19)15-12(20)17-16-11/h1-4H,5H2,(H,13,14,18)(H2,15,17,19,20)/p-1