(Z)-1-(4-hexylphenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (Z)-1-(4-hexylphenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (Z)-3-anilino-1-(4-hexylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (Z)-3-anilino-1-(4-hexylphenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-3-anilino-1-(4-hexylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (Z)-3-anilino-1-(4-hexylphenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C26H29N2OS+ MolecularWeight: 417.58626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2)S)[N+]3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)/C(=C(\NC2=CC=CC=C2)/S)/[N+]3=CC=CC=C3

InChI

InChI=1S/C26H28N2OS/c1-2-3-4-7-12-21-15-17-22(18-16-21)25(29)24(28-19-10-6-11-20-28)26(30)27-23-13-8-5-9-14-23/h5-6,8-11,13-20H,2-4,7,12H2,1H3,(H-,27,29,30)/p+1