N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonyl-aniline

Systemtic Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonyl-aniline Openeye Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonyl-aniline CAS Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylaniline IUPAC Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylaniline Traditional Name: (3,5-dimethyl-1H-pyrazol-4-yl)methyl-(4-mesylphenyl)amine Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CNC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1)C)CNC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C13H17N3O2S/c1-9-13(10(2)16-15-9)8-14-11-4-6-12(7-5-11)19(3,17)18/h4-7,14H,8H2,1-3H3,(H,15,16)