S-hexyl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate

Systemtic Name: S-hexyl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate Openeye Name: S-hexyl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate CAS Name: (NE)-N-(1-phenyl-4-pyridazinylidene)carbamothioic acid S-hexyl ester IUPAC Name: S-hexyl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate Traditional Name: (NE)-N-(1-phenylpyridazin-4-ylidene)thiocarbamic acid S-hexyl ester Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(=O)N=C1C=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCSC(=O)/N=C/1\C=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H21N3OS/c1-2-3-4-8-13-22-17(21)19-15-11-12-20(18-14-15)16-9-6-5-7-10-16/h5-7,9-12,14H,2-4,8,13H2,1H3/b19-15+