2-tert-butyl-4-chloranyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[(E)-cinnamyl]sulfanyl-pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[(E)-3-phenylprop-2-enyl]thio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[(E)-3-phenylprop-2-enyl]sulfanylpyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[(E)-cinnamyl]thio]pyridazin-3-one Formula: C17H19ClN2OS MolecularWeight: 334.86356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)SCC=CC2=CC=CC=C2)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SC/C=C/C2=CC=CC=C2)Cl

InChI

InChI=1S/C17H19ClN2OS/c1-17(2,3)20-16(21)15(18)14(12-19-20)22-11-7-10-13-8-5-4-6-9-13/h4-10,12H,11H2,1-3H3/b10-7+