2-methyl-3-[5-[(E)-[(phenylmethyl)carbamothioylhydrazinylidene]methyl]furan-2-yl]benzoic acid

Systemtic Name: 2-methyl-3-[5-[(E)-[(phenylmethyl)carbamothioylhydrazinylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-(benzylcarbamothioylhydrazono)methyl]-2-furyl]-2-methyl-benzoic acid CAS Name: 2-methyl-3-[5-[(E)-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(E)-(benzylcarbamothioylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoic acid Traditional Name: 3-[5-[(E)-(benzylthiocarbamoylhydrazono)methyl]-2-furyl]-2-methyl-benzoic acid Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)/C=N/NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3S/c1-14-17(8-5-9-18(14)20(25)26)19-11-10-16(27-19)13-23-24-21(28)22-12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,25,26)(H2,22,24,28)/b23-13+