ethyl 4-[3-[(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]-2,5-diphenyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]-2,5-diphenyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[(5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]-2,5-diphenyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]-2,5-diphenyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-2,5-diphenylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]-2,5-diphenyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C29H23N3O3S MolecularWeight: 493.57622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=C4C(=O)NC(=S)N4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=C4C(=O)NC(=S)N4)C5=CC=CC=C5

InChI

InChI=1S/C29H23N3O3S/c1-2-35-28(34)21-13-15-23(16-14-21)32-25(19-9-5-3-6-10-19)18-22(17-24-27(33)31-29(36)30-24)26(32)20-11-7-4-8-12-20/h3-18H,2H2,1H3,(H2,30,31,33,36)