2-[3-(4-chlorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethyl-diethyl-methyl-azanium

Systemtic Name: 2-[3-(4-chlorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethyl-diethyl-methyl-azanium Openeye Name: 2-[3-(4-chlorophenyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylethyl-diethyl-methyl-ammonium CAS Name: 2-[[3-(4-chlorophenyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]ethyl-diethyl-methylammonium IUPAC Name: 2-[3-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylethyl-diethyl-methylazanium Traditional Name: 2-[[3-(4-chlorophenyl)-4-keto-thieno[2,3-d]pyrimidin-2-yl]thio]ethyl-diethyl-methyl-ammonium Formula: C19H23ClN3OS2+ MolecularWeight: 408.98842

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCSC1=NC2=C(C=CS2)C(=O)N1C3=CC=C(C=C3)Cl

Isomeric SMILES

CC[N+](C)(CC)CCSC1=NC2=C(C=CS2)C(=O)N1C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H23ClN3OS2/c1-4-23(3,5-2)11-13-26-19-21-17-16(10-12-25-17)18(24)22(19)15-8-6-14(20)7-9-15/h6-10,12H,4-5,11,13H2,1-3H3/q+1