4-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid

Systemtic Name: 4-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid Openeye Name: 4-[3-[(E)-(carbamothioylhydrazono)methyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid CAS Name: 4-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2,5-dimethyl-1-pyrrolyl]-3-methylbenzoic acid IUPAC Name: 4-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2,5-dimethylpyrrol-1-yl]-3-methylbenzoic acid Traditional Name: 4-[2,5-dimethyl-3-[(E)-(thiocarbamoylhydrazono)methyl]pyrrol-1-yl]-3-methyl-benzoic acid Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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