N-(5-methyl-1,2-oxazol-3-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(5-methylisoxazol-3-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(5-methyl-3-isoxazolyl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(5-methylisoxazol-3-yl)-1H-quinazoline-2-carbothioamide Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=NO1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C13H10N4O2S/c1-7-6-10(17-19-7)15-13(20)11-14-9-5-3-2-4-8(9)12(18)16-11/h2-6H,1H3,(H,14,16,18)(H,15,17,20)