1-(4-fluorophenyl)-3-[4-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)butyl]thiourea

Systemtic Name: 1-(4-fluorophenyl)-3-[4-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)butyl]thiourea Openeye Name: 1-(4-fluorophenyl)-3-[4-(6-oxo-3-phenyl-pyridazin-1-yl)butyl]thiourea CAS Name: 1-(4-fluorophenyl)-3-[4-(6-oxo-3-phenyl-1-pyridazinyl)butyl]thiourea IUPAC Name: 1-(4-fluorophenyl)-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]thiourea Traditional Name: 1-(4-fluorophenyl)-3-[4-(6-keto-3-phenyl-pyridazin-1-yl)butyl]thiourea Formula: C21H21FN4OS MolecularWeight: 396.481043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCCNC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCCNC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN4OS/c22-17-8-10-18(11-9-17)24-21(28)23-14-4-5-15-26-20(27)13-12-19(25-26)16-6-2-1-3-7-16/h1-3,6-13H,4-5,14-15H2,(H2,23,24,28)