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

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine Openeye Name: N-[(4-fluorophenyl)methyl]-2-(p-tolylsulfonyl)-5-(3-pyridyl)-1,2,4-triazol-3-amine CAS Name: N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-5-(3-pyridinyl)-1,2,4-triazol-3-amine IUPAC Name: N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine Traditional Name: (4-fluorobenzyl)-[5-(3-pyridyl)-2-tosyl-1,2,4-triazol-3-yl]amine Formula: C21H18FN5O2S MolecularWeight: 423.463323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN5O2S/c1-15-4-10-19(11-5-15)30(28,29)27-21(24-13-16-6-8-18(22)9-7-16)25-20(26-27)17-3-2-12-23-14-17/h2-12,14H,13H2,1H3,(H,24,25,26)