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

Systemtic Name: butyl 4-[5-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate Openeye Name: butyl 4-[5-[(E)-(allylcarbamothioylhydrazono)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid butyl ester IUPAC Name: butyl 4-[5-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-(allylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid butyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-3-5-13-25-19(24)16-8-6-15(7-9-16)18-11-10-17(26-18)14-22-23-20(27)21-12-4-2/h4,6-11,14H,2-3,5,12-13H2,1H3,(H2,21,23,27)/b22-14+