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

Systemtic Name: N-(2-methylpropyl)-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-isobutyl-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-methylpropyl)-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-methylpropyl)-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-isobutyl-2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]acetamide Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O2S/c1-10(2)7-17-13(23)8-25-16-20-12-6-4-3-5-11(12)14(24)22(16)15-18-9-19-21-15/h3-6,9-10H,7-8H2,1-2H3,(H,17,23)(H,18,19,21)