2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]acetamide Formula: C15H16N6O2S MolecularWeight: 344.39154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=NC=NN3

Isomeric SMILES

CC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=NC=NN3

InChI

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