4-chloranyl-1-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)butan-1-one

Systemtic Name: 4-chloranyl-1-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)butan-1-one Openeye Name: 4-chloro-1-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)butan-1-one CAS Name: 4-chloro-1-[3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]-1-butanone IUPAC Name: 4-chloro-1-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)butan-1-one Traditional Name: 4-chloro-1-[3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]butan-1-one Formula: C15H17ClN2OS MolecularWeight: 308.82628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)CCCCl)C)SC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1C(=O)CCCCl)C)SC2=CC=CC=C2

InChI

InChI=1S/C15H17ClN2OS/c1-11-15(20-13-7-4-3-5-8-13)12(2)18(17-11)14(19)9-6-10-16/h3-5,7-8H,6,9-10H2,1-2H3