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

Systemtic Name: N-[(2S)-octan-2-yl]-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1S)-1-methylheptyl]-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(2S)-octan-2-yl]-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-octan-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-methylheptyl]acetamide Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O2S/c1-3-4-5-6-9-14(2)23-17(27)12-29-20-24-16-11-8-7-10-15(16)18(28)26(20)19-21-13-22-25-19/h7-8,10-11,13-14H,3-6,9,12H2,1-2H3,(H,23,27)(H,21,22,25)/t14-/m0/s1