2-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethyl-dimethyl-azanium

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethyl-dimethyl-azanium Openeye Name: 2-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)ethyl-dimethyl-ammonium CAS Name: 2-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl-dimethylammonium IUPAC Name: 2-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl-dimethylazanium Traditional Name: 2-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)ethyl-dimethyl-ammonium Formula: C12H15ClN3OS+ MolecularWeight: 284.785

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(=O)C2=C(C=C(C=C2)Cl)NC1=S

Isomeric SMILES

C[NH+](C)CCN1C(=O)C2=C(C=C(C=C2)Cl)NC1=S

InChI

InChI=1S/C12H14ClN3OS/c1-15(2)5-6-16-11(17)9-4-3-8(13)7-10(9)14-12(16)18/h3-4,7H,5-6H2,1-2H3,(H,14,18)/p+1