4-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazoline-1-thiolate

Systemtic Name: 4-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazoline-1-thiolate Openeye Name: 4-(2-methoxy-5-methyl-phenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-1-thiolate CAS Name: 4-(2-methoxy-5-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-1-thiolate IUPAC Name: 4-(2-methoxy-5-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-1-thiolate Traditional Name: 5-keto-4-(2-methoxy-5-methyl-phenyl)-[1,2,4]triazolo[4,3-a]quinazoline-1-thiolate Formula: C17H13N4O2S- MolecularWeight: 337.37572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N4C2=NN=C4[S-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N4C2=NN=C4[S-]

InChI

InChI=1S/C17H14N4O2S/c1-10-7-8-14(23-2)13(9-10)20-15(22)11-5-3-4-6-12(11)21-16(20)18-19-17(21)24/h3-9H,1-2H3,(H,19,24)/p-1