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

Systemtic Name: 1-methyl-3-[4-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)butyl]thiourea Openeye Name: 1-methyl-3-[4-(6-oxo-3-phenyl-pyridazin-1-yl)butyl]thiourea CAS Name: 1-methyl-3-[4-(6-oxo-3-phenyl-1-pyridazinyl)butyl]thiourea IUPAC Name: 1-methyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]thiourea Traditional Name: 1-[4-(6-keto-3-phenyl-pyridazin-1-yl)butyl]-3-methyl-thiourea Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCCCCN1C(=O)C=CC(=N1)C2=CC=CC=C2

Isomeric SMILES

CNC(=S)NCCCCN1C(=O)C=CC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C16H20N4OS/c1-17-16(22)18-11-5-6-12-20-15(21)10-9-14(19-20)13-7-3-2-4-8-13/h2-4,7-10H,5-6,11-12H2,1H3,(H2,17,18,22)