4-(4-methylphenyl)-2-methylsulfanyl-N-(4-nitrophenyl)pyrimidin-1-ium-1-amine

Systemtic Name: 4-(4-methylphenyl)-2-methylsulfanyl-N-(4-nitrophenyl)pyrimidin-1-ium-1-amine Openeye Name: 2-methylsulfanyl-N-(4-nitrophenyl)-4-(p-tolyl)pyrimidin-1-ium-1-amine CAS Name: 4-(4-methylphenyl)-2-(methylthio)-N-(4-nitrophenyl)-1-pyrimidin-1-iumamine IUPAC Name: 4-(4-methylphenyl)-2-methylsulfanyl-N-(4-nitrophenyl)pyrimidin-1-ium-1-amine Traditional Name: [2-(methylthio)-4-(p-tolyl)pyrimidin-1-ium-1-yl]-(4-nitrophenyl)amine Formula: C18H17N4O2S+ MolecularWeight: 353.41818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=[N+](C=C2)NC3=CC=C(C=C3)[N+](=O)[O-])SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=[N+](C=C2)NC3=CC=C(C=C3)[N+](=O)[O-])SC

InChI

InChI=1S/C18H17N4O2S/c1-13-3-5-14(6-4-13)17-11-12-21(18(19-17)25-2)20-15-7-9-16(10-8-15)22(23)24/h3-12,20H,1-2H3/q+1