(3-tert-butyl-5-methylsulfanyl-pyrazol-1-yl)-(4-chlorophenyl)methanone

Systemtic Name: (3-tert-butyl-5-methylsulfanyl-pyrazol-1-yl)-(4-chlorophenyl)methanone Openeye Name: (3-tert-butyl-5-methylsulfanyl-pyrazol-1-yl)-(4-chlorophenyl)methanone CAS Name: [3-tert-butyl-5-(methylthio)-1-pyrazolyl]-(4-chlorophenyl)methanone IUPAC Name: (3-tert-butyl-5-methylsulfanylpyrazol-1-yl)-(4-chlorophenyl)methanone Traditional Name: [3-tert-butyl-5-(methylthio)pyrazol-1-yl]-(4-chlorophenyl)methanone Formula: C15H17ClN2OS MolecularWeight: 308.82628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)SC)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)SC)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H17ClN2OS/c1-15(2,3)12-9-13(20-4)18(17-12)14(19)10-5-7-11(16)8-6-10/h5-9H,1-4H3