3-[(E)-2-[6-[4-(4-butylphenyl)butylsulfanylmethyl]pyridin-2-yl]ethenyl]aniline

Systemtic Name: 3-[(E)-2-[6-[4-(4-butylphenyl)butylsulfanylmethyl]pyridin-2-yl]ethenyl]aniline Openeye Name: 3-[(E)-2-[6-[4-(4-butylphenyl)butylsulfanylmethyl]-2-pyridyl]vinyl]aniline CAS Name: 3-[(E)-2-[6-[[4-(4-butylphenyl)butylthio]methyl]-2-pyridinyl]ethenyl]aniline IUPAC Name: 3-[(E)-2-[6-[4-(4-butylphenyl)butylsulfanylmethyl]pyridin-2-yl]ethenyl]aniline Traditional Name: [3-[(E)-2-[6-[[4-(4-butylphenyl)butylthio]methyl]-2-pyridyl]vinyl]phenyl]amine Formula: C28H34N2S MolecularWeight: 430.64796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CCCCSCC2=CC=CC(=N2)C=CC3=CC(=CC=C3)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)CCCCSCC2=CC=CC(=N2)/C=C/C3=CC(=CC=C3)N

InChI

InChI=1S/C28H34N2S/c1-2-3-8-23-14-16-24(17-15-23)9-4-5-20-31-22-28-13-7-12-27(30-28)19-18-25-10-6-11-26(29)21-25/h6-7,10-19,21H,2-5,8-9,20,22,29H2,1H3/b19-18+