(E)-1-(4-tert-butylphenyl)-3-[(3-chloranyl-2-methyl-phenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(4-tert-butylphenyl)-3-[(3-chloranyl-2-methyl-phenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(4-tert-butylphenyl)-3-(3-chloro-2-methyl-anilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(4-tert-butylphenyl)-3-(3-chloro-2-methylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(4-tert-butylphenyl)-3-(3-chloro-2-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(4-tert-butylphenyl)-3-(3-chloro-2-methyl-anilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C25H25ClN2OS MolecularWeight: 436.9968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)C(=C(C2=CC=C(C=C2)C(C)(C)C)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)/C(=C(/C2=CC=C(C=C2)C(C)(C)C)\[O-])/[N+]3=CC=CC=C3

InChI

InChI=1S/C25H25ClN2OS/c1-17-20(26)9-8-10-21(17)27-24(30)22(28-15-6-5-7-16-28)23(29)18-11-13-19(14-12-18)25(2,3)4/h5-16H,1-4H3,(H-,27,29,30)