ethyl 4-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2,5-diphenyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2,5-diphenyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[(E)-(carbamothioylhydrazono)methyl]-2,5-diphenyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2,5-diphenyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2,5-diphenylpyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diphenyl-3-[(E)-(thiocarbamoylhydrazono)methyl]pyrrol-1-yl]benzoic acid ethyl ester Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=NNC(=S)N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)/C=N/NC(=S)N)C4=CC=CC=C4

InChI

InChI=1S/C27H24N4O2S/c1-2-33-26(32)21-13-15-23(16-14-21)31-24(19-9-5-3-6-10-19)17-22(18-29-30-27(28)34)25(31)20-11-7-4-8-12-20/h3-18H,2H2,1H3,(H3,28,30,34)/b29-18+