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

Systemtic Name: (2S)-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-N-propan-2-yl-propanamide Openeye Name: (2S)-N-isopropyl-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]-N-propan-2-ylpropanamide IUPAC Name: (2S)-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide Traditional Name: (2S)-N-isopropyl-2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]propionamide Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O2S/c1-9(2)19-13(23)10(3)25-16-20-12-7-5-4-6-11(12)14(24)22(16)15-17-8-18-21-15/h4-10H,1-3H3,(H,19,23)(H,17,18,21)/t10-/m0/s1