2-[6-(3-bromophenyl)-2-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol

Systemtic Name: 2-[6-(3-bromophenyl)-2-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 2-[6-(3-bromophenyl)-2-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 2-[6-(3-bromophenyl)-2-[4-(methylthio)phenyl]-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 2-[6-(3-bromophenyl)-2-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 2-[6-(3-bromophenyl)-2-[4-(methylthio)phenyl]-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Formula: C23H22BrN2OS+ MolecularWeight: 454.40258

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2[NH2+]C(C=C(N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4O

Isomeric SMILES

CSC1=CC=C(C=C1)C2[NH2+]C(C=C(N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4O

InChI

InChI=1S/C23H21BrN2OS/c1-28-18-11-9-15(10-12-18)23-25-20(16-5-4-6-17(24)13-16)14-21(26-23)19-7-2-3-8-22(19)27/h2-14,21,23,25-27H,1H3/p+1