1-(4-tert-butylphenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(4-tert-butylphenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(4-tert-butylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-1-(4-tert-butylphenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-anilino-1-(4-tert-butylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-1-(4-tert-butylphenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C24H25N2OS+ MolecularWeight: 389.5331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2OS/c1-24(2,3)19-14-12-18(13-15-19)22(27)21(26-16-8-5-9-17-26)23(28)25-20-10-6-4-7-11-20/h4-17H,1-3H3,(H-,25,27,28)/p+1