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

Systemtic Name: (4-chloranyl-3-methyl-phenyl) (4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (4-chloro-3-methyl-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-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) (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-methyl-phenyl) ester Formula: C24H22ClN3O3S MolecularWeight: 467.96778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=C(C3=C(O2)CCCC3=NNC(=S)NC4=CC=CC=C4)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=S)NC4=CC=CC=C4)C)Cl

InChI

InChI=1S/C24H22ClN3O3S/c1-14-13-17(11-12-18(14)25)30-23(29)22-15(2)21-19(9-6-10-20(21)31-22)27-28-24(32)26-16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H2,26,28,32)/b27-19+