N-[(4-dimethylaminophenyl)methyl]-2-methylsulfonyl-5-phenyl-1,2,4-triazol-3-amine

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-methylsulfonyl-5-phenyl-1,2,4-triazol-3-amine Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-methylsulfonyl-5-phenyl-1,2,4-triazol-3-amine CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-methylsulfonyl-5-phenyl-1,2,4-triazol-3-amine IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-methylsulfonyl-5-phenyl-1,2,4-triazol-3-amine Traditional Name: [4-[[(2-mesyl-5-phenyl-1,2,4-triazol-3-yl)amino]methyl]phenyl]-dimethyl-amine Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2S/c1-22(2)16-11-9-14(10-12-16)13-19-18-20-17(15-7-5-4-6-8-15)21-23(18)26(3,24)25/h4-12H,13H2,1-3H3,(H,19,20,21)