5-chloranyl-1-methyl-3-(phenylsulfanylmethyl)pyrazole-4-carbaldehyde

Systemtic Name: 5-chloranyl-1-methyl-3-(phenylsulfanylmethyl)pyrazole-4-carbaldehyde Openeye Name: 5-chloro-1-methyl-3-(phenylsulfanylmethyl)pyrazole-4-carbaldehyde CAS Name: 5-chloro-1-methyl-3-[(phenylthio)methyl]-4-pyrazolecarboxaldehyde IUPAC Name: 5-chloro-1-methyl-3-(phenylsulfanylmethyl)pyrazole-4-carbaldehyde Traditional Name: 5-chloro-1-methyl-3-[(phenylthio)methyl]pyrazole-4-carbaldehyde Formula: C12H11ClN2OS MolecularWeight: 266.74654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)CSC2=CC=CC=C2)C=O)Cl

Isomeric SMILES

CN1C(=C(C(=N1)CSC2=CC=CC=C2)C=O)Cl

InChI

InChI=1S/C12H11ClN2OS/c1-15-12(13)10(7-16)11(14-15)8-17-9-5-3-2-4-6-9/h2-7H,8H2,1H3