(1E)-1-(6-butoxy-1-phenyl-pyridazin-4-ylidene)-3-heptyl-thiourea

Systemtic Name: (1E)-1-(6-butoxy-1-phenyl-pyridazin-4-ylidene)-3-heptyl-thiourea Openeye Name: (1E)-1-(6-butoxy-1-phenyl-pyridazin-4-ylidene)-3-heptyl-thiourea CAS Name: (1E)-1-(6-butoxy-1-phenyl-4-pyridazinylidene)-3-heptylthiourea IUPAC Name: (1E)-1-(6-butoxy-1-phenylpyridazin-4-ylidene)-3-heptylthiourea Traditional Name: (1E)-1-(6-butoxy-1-phenyl-pyridazin-4-ylidene)-3-heptyl-thiourea Formula: C22H32N4OS MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)N=C1C=C(N(N=C1)C2=CC=CC=C2)OCCCC

Isomeric SMILES

CCCCCCCNC(=S)/N=C/1\C=C(N(N=C1)C2=CC=CC=C2)OCCCC

InChI

InChI=1S/C22H32N4OS/c1-3-5-7-8-12-15-23-22(28)25-19-17-21(27-16-6-4-2)26(24-18-19)20-13-10-9-11-14-20/h9-11,13-14,17-18H,3-8,12,15-16H2,1-2H3,(H,23,28)/b25-19+