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

Systemtic Name: (2S)-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-N-phenyl-propanamide Openeye Name: (2S)-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-N-phenyl-propanamide CAS Name: (2S)-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]-N-phenylpropanamide IUPAC Name: (2S)-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-N-phenylpropanamide Traditional Name: (2S)-2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]-N-phenyl-propionamide Formula: C19H16N6O2S MolecularWeight: 392.43434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C19H16N6O2S/c1-12(16(26)22-13-7-3-2-4-8-13)28-19-23-15-10-6-5-9-14(15)17(27)25(19)18-20-11-21-24-18/h2-12H,1H3,(H,22,26)(H,20,21,24)/t12-/m0/s1