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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-naphthalen-2-ylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine Openeye Name: 2-(2-naphthylsulfonyl)-N-(p-tolylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-amine CAS Name: N-[(4-methylphenyl)methyl]-2-(2-naphthalenylsulfonyl)-5-(3-pyridinyl)-1,2,4-triazol-3-amine IUPAC Name: N-[(4-methylphenyl)methyl]-2-naphthalen-2-ylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine Traditional Name: (4-methylbenzyl)-[2-(2-naphthylsulfonyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]amine Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C5=CN=CC=C5

InChI

InChI=1S/C25H21N5O2S/c1-18-8-10-19(11-9-18)16-27-25-28-24(22-7-4-14-26-17-22)29-30(25)33(31,32)23-13-12-20-5-2-3-6-21(20)15-23/h2-15,17H,16H2,1H3,(H,27,28,29)