[4-(4-methoxyphenyl)-5-(4-methylphenyl)sulfanyl-2-octoxy-phenyl]iminoazanium

Systemtic Name: [4-(4-methoxyphenyl)-5-(4-methylphenyl)sulfanyl-2-octoxy-phenyl]iminoazanium Openeye Name: [4-(4-methoxyphenyl)-2-octoxy-5-(p-tolylsulfanyl)phenyl]iminoammonium CAS Name: [4-(4-methoxyphenyl)-5-[(4-methylphenyl)thio]-2-octoxyphenyl]iminoammonium IUPAC Name: [4-(4-methoxyphenyl)-5-(4-methylphenyl)sulfanyl-2-octoxyphenyl]iminoazanium Traditional Name: [4-(4-methoxyphenyl)-2-octoxy-5-(p-tolylthio)phenyl]iminoammonium Formula: C28H35N2O2S+ MolecularWeight: 463.6547

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)C2=CC=C(C=C2)OC)SC3=CC=C(C=C3)C)N=[NH2+]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)C2=CC=C(C=C2)OC)SC3=CC=C(C=C3)C)N=[NH2+]

InChI

InChI=1S/C28H34N2O2S/c1-4-5-6-7-8-9-18-32-27-19-25(22-12-14-23(31-3)15-13-22)28(20-26(27)30-29)33-24-16-10-21(2)11-17-24/h10-17,19-20,29H,4-9,18H2,1-3H3/p+1