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

Systemtic Name: 2-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-amine Openeye Name: 2-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-5-(3-pyridyl)-1,2,4-triazol-3-amine CAS Name: 2-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-5-(3-pyridinyl)-1,2,4-triazol-3-amine IUPAC Name: 2-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-amine Traditional Name: [2-esyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]-(4-fluorobenzyl)amine Formula: C16H16FN5O2S MolecularWeight: 361.393943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCS(=O)(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C16H16FN5O2S/c1-2-25(23,24)22-16(19-10-12-5-7-14(17)8-6-12)20-15(21-22)13-4-3-9-18-11-13/h3-9,11H,2,10H2,1H3,(H,19,20,21)