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

Systemtic Name: 1-(3-fluorophenyl)-3-[4-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)butyl]thiourea Openeye Name: 1-(3-fluorophenyl)-3-[4-(6-oxo-3-phenyl-pyridazin-1-yl)butyl]thiourea CAS Name: 1-(3-fluorophenyl)-3-[4-(6-oxo-3-phenyl-1-pyridazinyl)butyl]thiourea IUPAC Name: 1-(3-fluorophenyl)-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]thiourea Traditional Name: 1-(3-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(=CC=C3)F

Isomeric SMILES

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

InChI

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