azanylidenemethylidene-[[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]sulfanium

Systemtic Name: azanylidenemethylidene-[[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]sulfanium Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl-(iminomethylene)sulfonium CAS Name: [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl-(iminomethylidene)sulfonium IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl-(iminomethylidene)sulfanium Traditional Name: [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl-(iminomethylene)sulfonium Formula: C12H9N4OS+ MolecularWeight: 257.29106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C[S+]=C=N)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)C[S+]=C=N)CC#N

InChI

InChI=1S/C12H9N4OS/c13-5-6-16-11(7-18-8-14)15-10-4-2-1-3-9(10)12(16)17/h1-4,14H,6-7H2/q+1