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

Systemtic Name: 2-chloranyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonyl-aniline Openeye Name: 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonyl-aniline CAS Name: 2-chloro-N-[(1-methyl-4-pyrazolyl)methyl]-5-methylsulfonylaniline IUPAC Name: 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline Traditional Name: (2-chloro-5-mesyl-phenyl)-[(1-methylpyrazol-4-yl)methyl]amine Formula: C12H14ClN3O2S MolecularWeight: 299.77646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CN1C=C(C=N1)CNC2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C12H14ClN3O2S/c1-16-8-9(7-15-16)6-14-12-5-10(19(2,17)18)3-4-11(12)13/h3-5,7-8,14H,6H2,1-2H3