dimethyl-[2-(4-oxidanylidene-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)ethyl]azanium

Systemtic Name: dimethyl-[2-(4-oxidanylidene-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)ethyl]azanium Openeye Name: dimethyl-[2-(4-oxo-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-3-yl)ethyl]ammonium CAS Name: dimethyl-[2-(4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)ethyl]ammonium IUPAC Name: dimethyl-[2-(4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)ethyl]azanium Traditional Name: 2-(4-keto-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-3-yl)ethyl-dimethyl-ammonium Formula: C14H16N3OS2+ MolecularWeight: 306.42634

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(=O)C2=C(C3=CC=CC=C3S2)NC1=S

Isomeric SMILES

C[NH+](C)CCN1C(=O)C2=C(C3=CC=CC=C3S2)NC1=S

InChI

InChI=1S/C14H15N3OS2/c1-16(2)7-8-17-13(18)12-11(15-14(17)19)9-5-3-4-6-10(9)20-12/h3-6H,7-8H2,1-2H3,(H,15,19)/p+1