3-methyl-2-sulfanylidene-7-(1H-1,2,4-triazol-5-ylcarbamoyl)quinazolin-4-olate

Systemtic Name: 3-methyl-2-sulfanylidene-7-(1H-1,2,4-triazol-5-ylcarbamoyl)quinazolin-4-olate Openeye Name: 3-methyl-2-thioxo-7-(1H-1,2,4-triazol-5-ylcarbamoyl)quinazolin-4-olate CAS Name: 3-methyl-7-[oxo-(1H-1,2,4-triazol-5-ylamino)methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-methyl-2-sulfanylidene-7-(1H-1,2,4-triazol-5-ylcarbamoyl)quinazolin-4-olate Traditional Name: 3-methyl-2-thioxo-7-(1H-1,2,4-triazol-5-ylcarbamoyl)quinazolin-4-olate Formula: C12H9N6O2S- MolecularWeight: 301.30386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=NC=NN3)[O-]

Isomeric SMILES

CN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=NC=NN3)[O-]

InChI

InChI=1S/C12H10N6O2S/c1-18-10(20)7-3-2-6(4-8(7)15-12(18)21)9(19)16-11-13-5-14-17-11/h2-5,20H,1H3,(H2,13,14,16,17,19)/p-1