N-tert-butyl-2-[[4-[(4-fluorophenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[4-[(4-fluorophenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[4-[(4-fluorophenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-[(4-fluorophenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[4-[(4-fluorophenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[4-[(4-fluorobenzyl)amino]-5-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H22FN5OS MolecularWeight: 351.442183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NCC2=CC=C(C=C2)F)SCC(=O)NC(C)(C)C

Isomeric SMILES

CC1=NN=C(N1NCC2=CC=C(C=C2)F)SCC(=O)NC(C)(C)C

InChI

InChI=1S/C16H22FN5OS/c1-11-20-21-15(24-10-14(23)19-16(2,3)4)22(11)18-9-12-5-7-13(17)8-6-12/h5-8,18H,9-10H2,1-4H3,(H,19,23)