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

Systemtic Name: 2-[[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C19H12N6O3S MolecularWeight: 404.40198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=NN5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=NN5

InChI

InChI=1S/C19H12N6O3S/c26-15-11-5-1-2-6-12(11)16(27)24(15)10-29-19-22-14-8-4-3-7-13(14)17(28)25(19)18-20-9-21-23-18/h1-9H,10H2,(H,20,21,23)