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

Systemtic Name: methyl 3-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 3-[3-[(E)-(carbamothioylhydrazono)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 3-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 3-[2,5-dimethyl-3-[(E)-(thiocarbamoylhydrazono)methyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=NNC(=S)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)/C=N/NC(=S)N

InChI

InChI=1S/C16H18N4O2S/c1-10-7-13(9-18-19-16(17)23)11(2)20(10)14-6-4-5-12(8-14)15(21)22-3/h4-9H,1-3H3,(H3,17,19,23)/b18-9+