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

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[[4-(2H-tetrazol-5-yl)phenyl]methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[4-(2H-tetrazol-5-yl)phenyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[[4-(2H-tetrazol-5-yl)phenyl]methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[4-(2H-tetrazol-5-yl)benzyl]thio]pyridazin-3-one Formula: C16H17ClN6OS MolecularWeight: 376.86378

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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=NNN=N3)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)C3=NNN=N3)Cl

InChI

InChI=1S/C16H17ClN6OS/c1-16(2,3)23-15(24)13(17)12(8-18-23)25-9-10-4-6-11(7-5-10)14-19-21-22-20-14/h4-8H,9H2,1-3H3,(H,19,20,21,22)