methyl 5-[(2-carbamothioylhydrazinyl)methylidene]-2-methyl-4-phenyl-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[(2-carbamothioylhydrazinyl)methylidene]-2-methyl-4-phenyl-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2-carbamothioylhydrazino)methylene]-2-methyl-4-phenyl-pyrrole-3-carboxylate CAS Name: 5-[(carbamothioylhydrazo)methylidene]-2-methyl-4-phenyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(2-carbamothioylhydrazinyl)methylidene]-2-methyl-4-phenylpyrrole-3-carboxylate Traditional Name: 2-methyl-4-phenyl-5-[(N'-thiocarbamoylhydrazino)methylene]pyrrole-3-carboxylic acid methyl ester Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CNNC(=S)N)C(=C1C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=CNNC(=S)N)C(=C1C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C15H16N4O2S/c1-9-12(14(20)21-2)13(10-6-4-3-5-7-10)11(18-9)8-17-19-15(16)22/h3-8,17H,1-2H3,(H3,16,19,22)