3-[(2,4-dichlorophenyl)amino]-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(2,4-dichlorophenyl)amino]-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-3-(2,4-dichloroanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2,4-dichloroanilino)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2,4-dichloroanilino)-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-3-(2,4-dichloroanilino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C23H22Cl2N3OS+ MolecularWeight: 459.41128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C(=C(NC2=C(C=C(C=C2)Cl)Cl)S)[N+]3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)C(=C(NC2=C(C=C(C=C2)Cl)Cl)S)[N+]3=CC=CC=C3

InChI

InChI=1S/C23H21Cl2N3OS/c1-4-10-28-15(2)13-18(16(28)3)22(29)21(27-11-6-5-7-12-27)23(30)26-20-9-8-17(24)14-19(20)25/h4-9,11-14H,1,10H2,2-3H3,(H-,26,29,30)/p+1