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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O2S/c1-12(2)8-9-13(3)22-16(26)10-28-19-23-15-7-5-4-6-14(15)17(27)25(19)18-20-11-21-24-18/h4-7,11-13H,8-10H2,1-3H3,(H,22,26)(H,20,21,24)/t13-/m0/s1