methyl 4-[(E)-(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]benzoate

Systemtic Name: methyl 4-[(E)-(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]benzoate Openeye Name: methyl 4-[(E)-(tetrahydrofuran-2-ylmethylcarbamothioylhydrazono)methyl]benzoate CAS Name: 4-[(E)-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]benzoate Traditional Name: 4-[(E)-(tetrahydrofurfurylthiocarbamoylhydrazono)methyl]benzoic acid methyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC(=S)NCC2CCCO2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/NC(=S)NCC2CCCO2

InChI

InChI=1S/C15H19N3O3S/c1-20-14(19)12-6-4-11(5-7-12)9-17-18-15(22)16-10-13-3-2-8-21-13/h4-7,9,13H,2-3,8,10H2,1H3,(H2,16,18,22)/b17-9+