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

Systemtic Name: 2-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

InChI

InChI=1S/C16H16N6O2S/c17-12(23)7-22-13(18-11-4-2-1-3-10(11)15(22)24)8-25-16-19-14(20-21-16)9-5-6-9/h1-4,9H,5-8H2,(H2,17,23)(H,19,20,21)