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

Systemtic Name: 2-[6-(4-ethylphenyl)-2-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 2-[6-(4-ethylphenyl)-2-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 2-[6-(4-ethylphenyl)-2-[4-(methylthio)phenyl]-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 2-[6-(4-ethylphenyl)-2-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 2-[6-(4-ethylphenyl)-2-[4-(methylthio)phenyl]-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Formula: C25H27N2OS+ MolecularWeight: 403.55968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC=C(C=C3)SC)C4=CC=CC=C4O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC=C(C=C3)SC)C4=CC=CC=C4O

InChI

InChI=1S/C25H26N2OS/c1-3-17-8-10-18(11-9-17)22-16-23(21-6-4-5-7-24(21)28)27-25(26-22)19-12-14-20(29-2)15-13-19/h4-16,23,25-28H,3H2,1-2H3/p+1