1-(3,4-dimethylphenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(3,4-dimethylphenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-1-(3,4-dimethylphenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-anilino-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-1-(3,4-dimethylphenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C22H21N2OS+ MolecularWeight: 361.47994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2)S)[N+]3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2)S)[N+]3=CC=CC=C3)C

InChI

InChI=1S/C22H20N2OS/c1-16-11-12-18(15-17(16)2)21(25)20(24-13-7-4-8-14-24)22(26)23-19-9-5-3-6-10-19/h3-15H,1-2H3,(H-,23,25,26)/p+1