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

Systemtic Name: 4-methylsulfanyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-1-ium Openeye Name: 4-methylsulfanyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-1-ium CAS Name: 4-(methylthio)-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-1-ium IUPAC Name: 4-methylsulfanyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-1-ium Traditional Name: 4-(methylthio)-1-(4-nitrobenzyl)thieno[2,3-d]pyrimidin-1-ium Formula: C14H12N3O2S2+ MolecularWeight: 318.39398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N3O2S2/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/q+1