2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(3-chlorophenyl)-3-mercapto-2-propen-1-one IUPAC Name: 3-anilino-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-mercapto-prop-2-en-1-one Formula: C24H24ClN2OS+ MolecularWeight: 423.97816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN2OS/c1-24(2,3)18-12-14-27(15-13-18)21(22(28)17-8-7-9-19(25)16-17)23(29)26-20-10-5-4-6-11-20/h4-16H,1-3H3,(H-,26,28,29)/p+1