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

Systemtic Name: 3-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[3-[(E)-(carbamothioylhydrazono)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 3-[2,5-dimethyl-3-[(E)-(thiocarbamoylhydrazono)methyl]pyrrol-1-yl]benzoic acid Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2S/c1-9-6-12(8-17-18-15(16)22)10(2)19(9)13-5-3-4-11(7-13)14(20)21/h3-8H,1-2H3,(H,20,21)(H3,16,18,22)/b17-8+