5-chloranyl-1-methyl-3-[(4-methylphenyl)sulfanylmethyl]pyrazole-4-carbaldehyde

Systemtic Name: 5-chloranyl-1-methyl-3-[(4-methylphenyl)sulfanylmethyl]pyrazole-4-carbaldehyde Openeye Name: 5-chloro-1-methyl-3-(p-tolylsulfanylmethyl)pyrazole-4-carbaldehyde CAS Name: 5-chloro-1-methyl-3-[[(4-methylphenyl)thio]methyl]-4-pyrazolecarboxaldehyde IUPAC Name: 5-chloro-1-methyl-3-[(4-methylphenyl)sulfanylmethyl]pyrazole-4-carbaldehyde Traditional Name: 5-chloro-1-methyl-3-[(p-tolylthio)methyl]pyrazole-4-carbaldehyde Formula: C13H13ClN2OS MolecularWeight: 280.77312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN(C(=C2C=O)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN(C(=C2C=O)Cl)C

InChI

InChI=1S/C13H13ClN2OS/c1-9-3-5-10(6-4-9)18-8-12-11(7-17)13(14)16(2)15-12/h3-7H,8H2,1-2H3