N-[(2S)-6-methylheptan-2-yl]-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]acetamide Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O2S/c1-13(2)7-6-8-14(3)23-17(27)11-29-20-24-16-10-5-4-9-15(16)18(28)26(20)19-21-12-22-25-19/h4-5,9-10,12-14H,6-8,11H2,1-3H3,(H,23,27)(H,21,22,25)/t14-/m0/s1