ethyl 4-[5-[(Z)-[(2-methylphenyl)carbamothioylhydrazinylidene]methyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(Z)-[(2-methylphenyl)carbamothioylhydrazinylidene]methyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(Z)-(o-tolylcarbamothioylhydrazono)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(Z)-[[(2-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(Z)-[(2-methylphenyl)carbamothioylhydrazinylidene]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(Z)-(o-tolylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=S)NC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=N\NC(=S)NC3=CC=CC=C3C

InChI

InChI=1S/C22H21N3O3S/c1-3-27-21(26)17-10-8-16(9-11-17)20-13-12-18(28-20)14-23-25-22(29)24-19-7-5-4-6-15(19)2/h4-14H,3H2,1-2H3,(H2,24,25,29)/b23-14-