4-methylsulfanyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-1-ium bromide

Systemtic Name: 4-methylsulfanyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-1-ium bromide Openeye Name: 4-methylsulfanyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-1-ium bromide CAS Name: 4-(methylthio)-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-1-ium bromide IUPAC Name: 4-methylsulfanyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-1-ium bromide Traditional Name: 4-(methylthio)-1-(4-nitrobenzyl)thieno[2,3-d]pyrimidin-1-ium bromide Formula: C14H12BrN3O2S2 MolecularWeight: 398.29798

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C=CSC2=[N+](C=N1)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

CSC1=C2C=CSC2=[N+](C=N1)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C14H12N3O2S2.BrH/c1-20-13-12-6-7-21-14(12)16(9-15-13)8-10-2-4-11(5-3-10)17(18)19;/h2-7,9H,8H2,1H3;1H/q+1;/p-1