(4-chloranyl-3,5-dimethyl-phenyl) (4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) (4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) (4E)-3-methyl-4-(phenylcarbamothioylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-4-[[anilino(sulfanylidene)methyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) (4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(phenylthiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C25H24ClN3O3S MolecularWeight: 481.99436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=C(C3=C(O2)CCCC3=NNC(=S)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=S)NC4=CC=CC=C4)C

InChI

InChI=1S/C25H24ClN3O3S/c1-14-12-18(13-15(2)22(14)26)31-24(30)23-16(3)21-19(10-7-11-20(21)32-23)28-29-25(33)27-17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H2,27,29,33)/b28-19+