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

Systemtic Name: 3-(2-methylpropyl)-2-sulfanylidene-7-(1H-1,2,4-triazol-5-ylcarbamoyl)quinazolin-4-olate Openeye Name: 3-isobutyl-2-thioxo-7-(1H-1,2,4-triazol-5-ylcarbamoyl)quinazolin-4-olate CAS Name: 3-(2-methylpropyl)-7-[oxo-(1H-1,2,4-triazol-5-ylamino)methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(2-methylpropyl)-2-sulfanylidene-7-(1H-1,2,4-triazol-5-ylcarbamoyl)quinazolin-4-olate Traditional Name: 3-isobutyl-2-thioxo-7-(1H-1,2,4-triazol-5-ylcarbamoyl)quinazolin-4-olate Formula: C15H15N6O2S- MolecularWeight: 343.3836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N6O2S/c1-8(2)6-21-13(23)10-4-3-9(5-11(10)18-15(21)24)12(22)19-14-16-7-17-20-14/h3-5,7-8,23H,6H2,1-2H3,(H2,16,17,19,20,22)/p-1