2-tert-butyl-4-chloranyl-5-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[4-(1H-1,2,4-triazol-5-yl)benzyl]thio]pyridazin-3-one Formula: C17H18ClN5OS MolecularWeight: 375.87572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)C3=NC=NN3)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)C3=NC=NN3)Cl

InChI

InChI=1S/C17H18ClN5OS/c1-17(2,3)23-16(24)14(18)13(8-21-23)25-9-11-4-6-12(7-5-11)15-19-10-20-22-15/h4-8,10H,9H2,1-3H3,(H,19,20,22)