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

Systemtic Name: 2-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C17H20N6O2S MolecularWeight: 372.4447

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

InChI

InChI=1S/C17H20N6O2S/c1-17(2,3)15-20-16(22-21-15)26-9-13-19-11-7-5-4-6-10(11)14(25)23(13)8-12(18)24/h4-7H,8-9H2,1-3H3,(H2,18,24)(H,20,21,22)