4-(4-bromophenyl)-6-methyl-2-methylsulfanyl-N-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide

Systemtic Name: 4-(4-bromophenyl)-6-methyl-2-methylsulfanyl-N-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide Openeye Name: 4-(4-bromophenyl)-6-methyl-2-methylsulfanyl-N-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide CAS Name: 4-(4-bromophenyl)-6-methyl-2-(methylthio)-N-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide IUPAC Name: 4-(4-bromophenyl)-6-methyl-2-methylsulfanyl-N-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide Traditional Name: 4-(4-bromophenyl)-6-methyl-2-(methylthio)-N-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide Formula: C19H19BrN3OS+ MolecularWeight: 417.34266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([NH+]=C(N1)SC)C2=CC=C(C=C2)Br)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C([NH+]=C(N1)SC)C2=CC=C(C=C2)Br)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H18BrN3OS/c1-12-16(18(24)22-15-6-4-3-5-7-15)17(23-19(21-12)25-2)13-8-10-14(20)11-9-13/h3-11,17H,1-2H3,(H,21,23)(H,22,24)/p+1