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

Systemtic Name: N-butyl-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-butyl-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-butyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O2S/c1-2-3-8-17-13(23)9-25-16-20-12-7-5-4-6-11(12)14(24)22(16)15-18-10-19-21-15/h4-7,10H,2-3,8-9H2,1H3,(H,17,23)(H,18,19,21)