(Z)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (Z)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (Z)-3-anilino-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (Z)-3-anilino-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-3-anilino-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (Z)-3-anilino-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C26H24N3OS+ MolecularWeight: 426.55326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1