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

Systemtic Name: N-[(2S)-heptan-2-yl]-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1S)-1-methylhexyl]-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(2S)-heptan-2-yl]-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-heptan-2-yl]-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]-N-[(1S)-1-methylhexyl]acetamide Formula: C19H24N6O2S MolecularWeight: 400.49786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=NC=NN3

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=NC=NN3

InChI

InChI=1S/C19H24N6O2S/c1-3-4-5-8-13(2)22-16(26)11-28-19-23-15-10-7-6-9-14(15)17(27)25(19)18-20-12-21-24-18/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,22,26)(H,20,21,24)/t13-/m0/s1