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

Systemtic Name: ethyl 4-[3-[(Z)-(carbamothioylhydrazinylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[(Z)-(carbamothioylhydrazono)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(Z)-(carbamothioylhydrazinylidene)methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(Z)-(carbamothioylhydrazinylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[(Z)-(thiocarbamoylhydrazono)methyl]pyrrol-1-yl]benzoic acid ethyl ester Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2S/c1-4-23-16(22)13-5-7-15(8-6-13)21-11(2)9-14(12(21)3)10-19-20-17(18)24/h5-10H,4H2,1-3H3,(H3,18,20,24)/b19-10-