1,3-dimethyl-5-(phenylmethylsulfanyl)pyrazol-4-amine

Systemtic Name: 1,3-dimethyl-5-(phenylmethylsulfanyl)pyrazol-4-amine Openeye Name: 5-benzylsulfanyl-1,3-dimethyl-pyrazol-4-amine CAS Name: 1,3-dimethyl-5-(phenylmethylthio)-4-pyrazolamine IUPAC Name: 5-benzylsulfanyl-1,3-dimethylpyrazol-4-amine Traditional Name: [5-(benzylthio)-1,3-dimethyl-pyrazol-4-yl]amine Formula: C12H15N3S MolecularWeight: 233.3326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N)SCC2=CC=CC=C2)C

Isomeric SMILES

CC1=NN(C(=C1N)SCC2=CC=CC=C2)C

InChI

InChI=1S/C12H15N3S/c1-9-11(13)12(15(2)14-9)16-8-10-6-4-3-5-7-10/h3-7H,8,13H2,1-2H3