2-[(1-methyl-4-oxidanylidene-4aH-quinazolin-1-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: 2-[(1-methyl-4-oxidanylidene-4aH-quinazolin-1-ium-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(1-methyl-4-oxo-4aH-quinazolin-1-ium-2-yl)sulfanyl]acetamide CAS Name: 2-[(1-methyl-4-oxo-4aH-quinazolin-1-ium-2-yl)thio]acetamide IUPAC Name: 2-[(1-methyl-4-oxo-4aH-quinazolin-1-ium-2-yl)sulfanyl]acetamide Traditional Name: 2-[(4-keto-1-methyl-4aH-quinazolin-1-ium-2-yl)thio]acetamide Formula: C11H12N3O2S+ MolecularWeight: 250.29688

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2C(=O)N=C1SCC(=O)N

Isomeric SMILES

C[N+]1=C2C=CC=CC2C(=O)N=C1SCC(=O)N

InChI

InChI=1S/C11H11N3O2S/c1-14-8-5-3-2-4-7(8)10(16)13-11(14)17-6-9(12)15/h2-5,7H,6H2,1H3,(H-,12,15)/p+1