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

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-(phenylsulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine Openeye Name: 2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-5-(3-pyridyl)-1,2,4-triazol-3-amine CAS Name: 2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-5-(3-pyridinyl)-1,2,4-triazol-3-amine IUPAC Name: 2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-amine Traditional Name: [2-besyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]-(4-fluorobenzyl)amine Formula: C20H16FN5O2S MolecularWeight: 409.436743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN5O2S/c21-17-10-8-15(9-11-17)13-23-20-24-19(16-5-4-12-22-14-16)25-26(20)29(27,28)18-6-2-1-3-7-18/h1-12,14H,13H2,(H,23,24,25)