ethyl 4-[2,5-dimethyl-3-[(Z)-(methylcarbamothioylhydrazinylidene)methyl]pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[2,5-dimethyl-3-[(Z)-(methylcarbamothioylhydrazinylidene)methyl]pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[2,5-dimethyl-3-[(Z)-(methylcarbamothioylhydrazono)methyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[(Z)-[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2,5-dimethyl-3-[(Z)-(methylcarbamothioylhydrazinylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[(Z)-(methylthiocarbamoylhydrazono)methyl]pyrrol-1-yl]benzoic acid ethyl ester Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=S)NC)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=N\NC(=S)NC)C

InChI

InChI=1S/C18H22N4O2S/c1-5-24-17(23)14-6-8-16(9-7-14)22-12(2)10-15(13(22)3)11-20-21-18(25)19-4/h6-11H,5H2,1-4H3,(H2,19,21,25)/b20-11-