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

Systemtic Name: S-heptyl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate Openeye Name: S-heptyl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate CAS Name: (NE)-N-(1-phenyl-4-pyridazinylidene)carbamothioic acid S-heptyl ester IUPAC Name: S-heptyl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate Traditional Name: (NE)-N-(1-phenylpyridazin-4-ylidene)thiocarbamic acid S-heptyl ester Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3OS/c1-2-3-4-5-9-14-23-18(22)20-16-12-13-21(19-15-16)17-10-7-6-8-11-17/h6-8,10-13,15H,2-5,9,14H2,1H3/b20-16+