2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonyl-aniline

Systemtic Name: 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonyl-aniline Openeye Name: 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonyl-aniline CAS Name: 2-methyl-N-[(1-methyl-4-pyrazolyl)methyl]-5-methylsulfonylaniline IUPAC Name: 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline Traditional Name: (5-mesyl-2-methyl-phenyl)-[(1-methylpyrazol-4-yl)methyl]amine Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NCC2=CN(N=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NCC2=CN(N=C2)C

InChI

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