3-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 3-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-isopentyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-isoamyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SCCC(=O)N)COC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN1C(=NN=C1SCCC(=O)N)COC2=CC=CC=C2

InChI

InChI=1S/C17H24N4O2S/c1-13(2)8-10-21-16(12-23-14-6-4-3-5-7-14)19-20-17(21)24-11-9-15(18)22/h3-7,13H,8-12H2,1-2H3,(H2,18,22)