4-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: 4-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-isopentyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 4-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-isoamyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)N)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)N)COC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-16(2)12-13-26-20(14-28-19-6-4-3-5-7-19)24-25-22(26)29-15-17-8-10-18(11-9-17)21(23)27/h3-11,16H,12-15H2,1-2H3,(H2,23,27)