(E)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-anilino-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-anilino-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-anilino-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-anilino-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C26H23N3OS MolecularWeight: 425.54532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=C(C(=S)NC3=CC=CC=C3)[N+]4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C(=C(/C(=S)NC3=CC=CC=C3)\[N+]4=CC=CC=C4)/[O-]

InChI

InChI=1S/C26H23N3OS/c1-19-18-23(20(2)29(19)22-14-8-4-9-15-22)25(30)24(28-16-10-5-11-17-28)26(31)27-21-12-6-3-7-13-21/h3-18H,1-2H3,(H-,27,30,31)