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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O2S/c1-3-8-17-13(23)10(2)25-16-20-12-7-5-4-6-11(12)14(24)22(16)15-18-9-19-21-15/h4-7,9-10H,3,8H2,1-2H3,(H,17,23)(H,18,19,21)/t10-/m0/s1