N-[(4-methylphenyl)methyl]-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine

Systemtic Name: N-[(4-methylphenyl)methyl]-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine Openeye Name: 2-methylsulfonyl-N-(p-tolylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-amine CAS Name: N-[(4-methylphenyl)methyl]-2-methylsulfonyl-5-(3-pyridinyl)-1,2,4-triazol-3-amine IUPAC Name: N-[(4-methylphenyl)methyl]-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine Traditional Name: [2-mesyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]-(4-methylbenzyl)amine Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NN2S(=O)(=O)C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NN2S(=O)(=O)C)C3=CN=CC=C3

InChI

InChI=1S/C16H17N5O2S/c1-12-5-7-13(8-6-12)10-18-16-19-15(14-4-3-9-17-11-14)20-21(16)24(2,22)23/h3-9,11H,10H2,1-2H3,(H,18,19,20)