2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=NC5=CC=CC=C5C(=O)N4CC(=O)N

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=NC5=CC=CC=C5C(=O)N4CC(=O)N

InChI

InChI=1S/C19H20N6O2S/c20-15(26)9-24-16(21-14-4-2-1-3-13(14)18(24)27)10-28-19-23-22-17(11-5-6-11)25(19)12-7-8-12/h1-4,11-12H,5-10H2,(H2,20,26)