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

Systemtic Name: 3-prop-2-enyl-2-sulfanylidene-7-(1H-1,2,4-triazol-5-ylcarbamoyl)quinazolin-4-olate Openeye Name: 3-allyl-2-thioxo-7-(1H-1,2,4-triazol-5-ylcarbamoyl)quinazolin-4-olate CAS Name: 7-[oxo-(1H-1,2,4-triazol-5-ylamino)methyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-prop-2-enyl-2-sulfanylidene-7-(1H-1,2,4-triazol-5-ylcarbamoyl)quinazolin-4-olate Traditional Name: 3-allyl-2-thioxo-7-(1H-1,2,4-triazol-5-ylcarbamoyl)quinazolin-4-olate Formula: C14H11N6O2S- MolecularWeight: 327.34114

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=NC=NN3)[O-]

Isomeric SMILES

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=NC=NN3)[O-]

InChI

InChI=1S/C14H12N6O2S/c1-2-5-20-12(22)9-4-3-8(6-10(9)17-14(20)23)11(21)18-13-15-7-16-19-13/h2-4,6-7,22H,1,5H2,(H2,15,16,18,19,21)/p-1