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

Systemtic Name: (E)-1-(4-tert-butylphenyl)-3-[(3-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(4-tert-butylphenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(4-tert-butylphenyl)-3-(3-methoxyanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(4-tert-butylphenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(4-tert-butylphenyl)-3-(m-anisidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O2S/c1-25(2,3)19-13-11-18(12-14-19)23(28)22(27-15-6-5-7-16-27)24(30)26-20-9-8-10-21(17-20)29-4/h5-17H,1-4H3,(H-,26,28,30)