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

Systemtic Name: (2S)-N-tert-butyl-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-tert-butyl-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-tert-butyl-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-tert-butyl-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-tert-butyl-2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]propionamide Formula: C17H20N6O2S MolecularWeight: 372.4447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O2S/c1-10(13(24)21-17(2,3)4)26-16-20-12-8-6-5-7-11(12)14(25)23(16)15-18-9-19-22-15/h5-10H,1-4H3,(H,21,24)(H,18,19,22)/t10-/m0/s1