butyl 4-[5-[(E)-(methylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate

Systemtic Name: butyl 4-[5-[(E)-(methylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate Openeye Name: butyl 4-[5-[(E)-(methylcarbamothioylhydrazono)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid butyl ester IUPAC Name: butyl 4-[5-[(E)-(methylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-(methylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid butyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=S)NC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=N/NC(=S)NC

InChI

InChI=1S/C18H21N3O3S/c1-3-4-11-23-17(22)14-7-5-13(6-8-14)16-10-9-15(24-16)12-20-21-18(25)19-2/h5-10,12H,3-4,11H2,1-2H3,(H2,19,21,25)/b20-12+