1,3-dimethyl-5-(phenylmethylsulfanyl)pyrazole

Systemtic Name: 1,3-dimethyl-5-(phenylmethylsulfanyl)pyrazole Openeye Name: 5-benzylsulfanyl-1,3-dimethyl-pyrazole CAS Name: 1,3-dimethyl-5-(phenylmethylthio)pyrazole IUPAC Name: 5-benzylsulfanyl-1,3-dimethylpyrazole Traditional Name: 5-(benzylthio)-1,3-dimethyl-pyrazole Formula: C12H14N2S MolecularWeight: 218.31796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)SCC2=CC=CC=C2)C

Isomeric SMILES

CC1=NN(C(=C1)SCC2=CC=CC=C2)C

InChI

InChI=1S/C12H14N2S/c1-10-8-12(14(2)13-10)15-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3