(2S)-N-ethyl-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-ethyl-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-ethyl-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-ethyl-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-ethyl-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-ethyl-2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]propionamide Formula: C15H16N6O2S MolecularWeight: 344.39154

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=NC=NN3

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NC2=CC=CC=C2C(=O)N1C3=NC=NN3

InChI

InChI=1S/C15H16N6O2S/c1-3-16-12(22)9(2)24-15-19-11-7-5-4-6-10(11)13(23)21(15)14-17-8-18-20-14/h4-9H,3H2,1-2H3,(H,16,22)(H,17,18,20)/t9-/m0/s1