3-[(4-chloranyl-2,5-dimethyl-phenyl)sulfanylmethyl]-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one

Systemtic Name: 3-[(4-chloranyl-2,5-dimethyl-phenyl)sulfanylmethyl]-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one Openeye Name: 3-[(4-chloro-2,5-dimethyl-phenyl)sulfanylmethyl]-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one CAS Name: 3-[[(4-chloro-2,5-dimethylphenyl)thio]methyl]-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one IUPAC Name: 3-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one Traditional Name: 3-[[(4-chloro-2,5-dimethyl-phenyl)thio]methyl]-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one Formula: C16H15ClN2O2S MolecularWeight: 334.8205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)SCC2=C3C(=CC(=O)OC3=NN2)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)SCC2=C3C(=CC(=O)OC3=NN2)C

InChI

InChI=1S/C16H15ClN2O2S/c1-8-5-13(9(2)4-11(8)17)22-7-12-15-10(3)6-14(20)21-16(15)19-18-12/h4-6H,7H2,1-3H3,(H,18,19)