dimethyl-[3-(4-oxidanylidene-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propyl]azanium

Systemtic Name: dimethyl-[3-(4-oxidanylidene-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propyl]azanium Openeye Name: dimethyl-[3-(4-oxo-2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-3-yl)propyl]ammonium CAS Name: dimethyl-[3-(4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propyl]ammonium IUPAC Name: dimethyl-[3-(4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propyl]azanium Traditional Name: 3-(4-keto-2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-3-yl)propyl-dimethyl-ammonium Formula: C15H22N3OS2+ MolecularWeight: 324.48468

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)C2=C(NC1=S)SC3=C2CCCC3

Isomeric SMILES

C[NH+](C)CCCN1C(=O)C2=C(NC1=S)SC3=C2CCCC3

InChI

InChI=1S/C15H21N3OS2/c1-17(2)8-5-9-18-14(19)12-10-6-3-4-7-11(10)21-13(12)16-15(18)20/h3-9H2,1-2H3,(H,16,20)/p+1