2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylethanamide Openeye Name: 2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylacetamide CAS Name: 2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]acetamide Formula: C12H10N6O2S MolecularWeight: 302.3118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N)C3=NC=NN3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N)C3=NC=NN3

InChI

InChI=1S/C12H10N6O2S/c13-9(19)5-21-12-16-8-4-2-1-3-7(8)10(20)18(12)11-14-6-15-17-11/h1-4,6H,5H2,(H2,13,19)(H,14,15,17)