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

Systemtic Name: ethyl 3-[3-[(ethylcarbamothioylhydrazinylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 3-[3-[(ethylcarbamothioylhydrazono)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 3-[3-[[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[(ethylcarbamothioylhydrazinylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 3-[3-[(ethylthiocarbamoylhydrazono)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=C(N(C(=C1)C)C2=CC=CC(=C2)C(=O)OCC)C

Isomeric SMILES

CCNC(=S)NN=CC1=C(N(C(=C1)C)C2=CC=CC(=C2)C(=O)OCC)C

InChI

InChI=1S/C19H24N4O2S/c1-5-20-19(26)22-21-12-16-10-13(3)23(14(16)4)17-9-7-8-15(11-17)18(24)25-6-2/h7-12H,5-6H2,1-4H3,(H2,20,22,26)