2-[(4-fluorophenyl)methyl]-5-(phenylmethyl)sulfonyl-1,2,4-triazol-3-amine

Systemtic Name: 2-[(4-fluorophenyl)methyl]-5-(phenylmethyl)sulfonyl-1,2,4-triazol-3-amine Openeye Name: 5-benzylsulfonyl-2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-amine CAS Name: 2-[(4-fluorophenyl)methyl]-5-(phenylmethyl)sulfonyl-1,2,4-triazol-3-amine IUPAC Name: 5-benzylsulfonyl-2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-amine Traditional Name: [5-benzylsulfonyl-2-(4-fluorobenzyl)-1,2,4-triazol-3-yl]amine Formula: C16H15FN4O2S MolecularWeight: 346.379303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=NN(C(=N2)N)CC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=NN(C(=N2)N)CC3=CC=C(C=C3)F

InChI

InChI=1S/C16H15FN4O2S/c17-14-8-6-12(7-9-14)10-21-15(18)19-16(20-21)24(22,23)11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,18,19,20)