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

Systemtic Name: methyl 4-[3-[(ethylcarbamothioylhydrazinylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[(ethylcarbamothioylhydrazono)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(ethylcarbamothioylhydrazinylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(ethylthiocarbamoylhydrazono)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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