S-[(4-chlorophenyl)methyl] (NZ)-N-(1-phenyl-6-propoxy-pyridazin-4-ylidene)carbamothioate

Systemtic Name: S-[(4-chlorophenyl)methyl] (NZ)-N-(1-phenyl-6-propoxy-pyridazin-4-ylidene)carbamothioate Openeye Name: S-[(4-chlorophenyl)methyl] (NZ)-N-(1-phenyl-6-propoxy-pyridazin-4-ylidene)carbamothioate CAS Name: (NZ)-N-(1-phenyl-6-propoxy-4-pyridazinylidene)carbamothioic acid S-[(4-chlorophenyl)methyl] ester IUPAC Name: S-[(4-chlorophenyl)methyl] (NZ)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamothioate Traditional Name: (NZ)-N-(1-phenyl-6-propoxy-pyridazin-4-ylidene)thiocarbamic acid S-(4-chlorobenzyl) ester Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=NC(=O)SCC2=CC=C(C=C2)Cl)C=NN1C3=CC=CC=C3

Isomeric SMILES

CCCOC1=C/C(=N/C(=O)SCC2=CC=C(C=C2)Cl)/C=NN1C3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O2S/c1-2-12-27-20-13-18(14-23-25(20)19-6-4-3-5-7-19)24-21(26)28-15-16-8-10-17(22)11-9-16/h3-11,13-14H,2,12,15H2,1H3/b24-18-