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

Systemtic Name: (1E)-1-(6-butoxy-1-phenyl-pyridazin-4-ylidene)-3-hexyl-thiourea Openeye Name: (1E)-1-(6-butoxy-1-phenyl-pyridazin-4-ylidene)-3-hexyl-thiourea CAS Name: (1E)-1-(6-butoxy-1-phenyl-4-pyridazinylidene)-3-hexylthiourea IUPAC Name: (1E)-1-(6-butoxy-1-phenylpyridazin-4-ylidene)-3-hexylthiourea Traditional Name: (1E)-1-(6-butoxy-1-phenyl-pyridazin-4-ylidene)-3-hexyl-thiourea Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4OS/c1-3-5-7-11-14-22-21(27)24-18-16-20(26-15-6-4-2)25(23-17-18)19-12-9-8-10-13-19/h8-10,12-13,16-17H,3-7,11,14-15H2,1-2H3,(H,22,27)/b24-18+