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

Systemtic Name: 2-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine Openeye Name: 2-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine CAS Name: 2-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine IUPAC Name: 2-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine Traditional Name: [2-esyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-(4-fluorobenzyl)amine Formula: C18H19FN4O3S MolecularWeight: 390.431863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN4O3S/c1-3-27(24,25)23-18(20-12-13-4-8-15(19)9-5-13)21-17(22-23)14-6-10-16(26-2)11-7-14/h4-11H,3,12H2,1-2H3,(H,20,21,22)