2-tert-butyl-4-chloranyl-5-[[3-[(E)-2-phenylethenyl]phenyl]methylsulfanyl]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[[3-[(E)-2-phenylethenyl]phenyl]methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[[3-[(E)-styryl]phenyl]methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[3-[(E)-2-phenylethenyl]phenyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[[3-[(E)-2-phenylethenyl]phenyl]methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[3-[(E)-styryl]benzyl]thio]pyridazin-3-one Formula: C23H23ClN2OS MolecularWeight: 410.95952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=CC(=C2)C=CC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=CC(=C2)/C=C/C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H23ClN2OS/c1-23(2,3)26-22(27)21(24)20(15-25-26)28-16-19-11-7-10-18(14-19)13-12-17-8-5-4-6-9-17/h4-15H,16H2,1-3H3/b13-12+