O-octan-2-yl N-(6-chloranyl-3-phenyl-pyridazin-4-yl)carbamothioate

Systemtic Name: O-octan-2-yl N-(6-chloranyl-3-phenyl-pyridazin-4-yl)carbamothioate Openeye Name: O-(1-methylheptyl) N-(6-chloro-3-phenyl-pyridazin-4-yl)carbamothioate CAS Name: N-(6-chloro-3-phenyl-4-pyridazinyl)carbamothioic acid O-octan-2-yl ester IUPAC Name: O-octan-2-yl N-(6-chloro-3-phenylpyridazin-4-yl)carbamothioate Traditional Name: N-(6-chloro-3-phenyl-pyridazin-4-yl)thiocarbamic acid O-(1-methylheptyl) ester Formula: C19H24ClN3OS MolecularWeight: 377.93136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=S)NC1=CC(=NN=C1C2=CC=CC=C2)Cl

Isomeric SMILES

CCCCCCC(C)OC(=S)NC1=CC(=NN=C1C2=CC=CC=C2)Cl

InChI

InChI=1S/C19H24ClN3OS/c1-3-4-5-7-10-14(2)24-19(25)21-16-13-17(20)22-23-18(16)15-11-8-6-9-12-15/h6,8-9,11-14H,3-5,7,10H2,1-2H3,(H,21,22,25)