N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-amine

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-amine Openeye Name: N-[(4-fluorophenyl)methyl]-2-(p-tolylsulfonyl)-5-(2-thienyl)-1,2,4-triazol-3-amine CAS Name: N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-amine IUPAC Name: N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-1,2,4-triazol-3-amine Traditional Name: (4-fluorobenzyl)-[5-(2-thienyl)-2-tosyl-1,2,4-triazol-3-yl]amine Formula: C20H17FN4O2S2 MolecularWeight: 428.502983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CC=CS3)NCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CC=CS3)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C20H17FN4O2S2/c1-14-4-10-17(11-5-14)29(26,27)25-20(22-13-15-6-8-16(21)9-7-15)23-19(24-25)18-3-2-12-28-18/h2-12H,13H2,1H3,(H,22,23,24)