1-ethylsulfonyl-N3,N5-bis[(4-fluorophenyl)methyl]-1,2,4-triazole-3,5-diamine

Systemtic Name: 1-ethylsulfonyl-N3,N5-bis[(4-fluorophenyl)methyl]-1,2,4-triazole-3,5-diamine Openeye Name: 1-ethylsulfonyl-N3,N5-bis[(4-fluorophenyl)methyl]-1,2,4-triazole-3,5-diamine CAS Name: 1-ethylsulfonyl-N3,N5-bis[(4-fluorophenyl)methyl]-1,2,4-triazole-3,5-diamine IUPAC Name: 1-ethylsulfonyl-3-N,5-N-bis[(4-fluorophenyl)methyl]-1,2,4-triazole-3,5-diamine Traditional Name: [1-esyl-5-[(4-fluorobenzyl)amino]-1,2,4-triazol-3-yl]-(4-fluorobenzyl)amine Formula: C18H19F2N5O2S MolecularWeight: 407.437566

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)F)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCS(=O)(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)F)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H19F2N5O2S/c1-2-28(26,27)25-18(22-12-14-5-9-16(20)10-6-14)23-17(24-25)21-11-13-3-7-15(19)8-4-13/h3-10H,2,11-12H2,1H3,(H2,21,22,23,24)