3-[(4-chlorophenyl)sulfanylmethyl]-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one Formula: C14H11ClN2O2S MolecularWeight: 306.76734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=NNC(=C12)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=O)OC2=NNC(=C12)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H11ClN2O2S/c1-8-6-12(18)19-14-13(8)11(16-17-14)7-20-10-4-2-9(15)3-5-10/h2-6H,7H2,1H3,(H,16,17)