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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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