N-tert-butyl-2-[[3-[(4-fluoranylphenoxy)methyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]ethanamide

Systemtic Name: N-tert-butyl-2-[[3-[(4-fluoranylphenoxy)methyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]ethanamide Openeye Name: 2-[[4-allyl-3-[(4-fluorophenoxy)methyl]-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[3-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]acetamide IUPAC Name: N-tert-butyl-2-[[3-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]acetamide Traditional Name: 2-[[4-allyl-3-[(4-fluorophenoxy)methyl]-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-tert-butyl-acetamide Formula: C20H28FN5O2S MolecularWeight: 421.532023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)CN1C(=S)N(C(=N1)COC2=CC=C(C=C2)F)CC=C

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)CN1C(=S)N(C(=N1)COC2=CC=C(C=C2)F)CC=C

InChI

InChI=1S/C20H28FN5O2S/c1-6-11-25-17(13-28-16-9-7-15(21)8-10-16)23-26(19(25)29)14-24(5)12-18(27)22-20(2,3)4/h6-10H,1,11-14H2,2-5H3,(H,22,27)