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

Systemtic Name: 2-[4-oxidanylidene-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[4-oxo-2-[[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-quinazolinyl]acetamide IUPAC Name: 2-[4-oxo-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]acetamide Traditional Name: 2-[2-[[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O2S/c1-9(2)14-19-16(21-20-14)25-8-13-18-11-6-4-3-5-10(11)15(24)22(13)7-12(17)23/h3-6,9H,7-8H2,1-2H3,(H2,17,23)(H,19,20,21)