S-(phenylmethyl) (NZ)-N-(6-butoxy-1-phenyl-pyridazin-4-ylidene)carbamothioate

Systemtic Name: S-(phenylmethyl) (NZ)-N-(6-butoxy-1-phenyl-pyridazin-4-ylidene)carbamothioate Openeye Name: S-benzyl (NZ)-N-(6-butoxy-1-phenyl-pyridazin-4-ylidene)carbamothioate CAS Name: (NZ)-N-(6-butoxy-1-phenyl-4-pyridazinylidene)carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl (NZ)-N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamothioate Traditional Name: (NZ)-N-(6-butoxy-1-phenyl-pyridazin-4-ylidene)thiocarbamic acid S-benzyl ester Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=NC(=O)SCC2=CC=CC=C2)C=NN1C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C/C(=N/C(=O)SCC2=CC=CC=C2)/C=NN1C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O2S/c1-2-3-14-27-21-15-19(16-23-25(21)20-12-8-5-9-13-20)24-22(26)28-17-18-10-6-4-7-11-18/h4-13,15-16H,2-3,14,17H2,1H3/b24-19-