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

Systemtic Name: S-pentyl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate Openeye Name: S-pentyl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate CAS Name: (NE)-N-(1-phenyl-4-pyridazinylidene)carbamothioic acid S-pentyl ester IUPAC Name: S-pentyl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate Traditional Name: (NE)-N-(1-phenylpyridazin-4-ylidene)thiocarbamic acid S-amyl ester Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3OS/c1-2-3-7-12-21-16(20)18-14-10-11-19(17-13-14)15-8-5-4-6-9-15/h4-6,8-11,13H,2-3,7,12H2,1H3/b18-14+