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

Systemtic Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-isopentyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[[4-isoamyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-isopropyl-acetamide Formula: C19H28N4O2S MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SCC(=O)NC(C)C)COC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN1C(=NN=C1SCC(=O)NC(C)C)COC2=CC=CC=C2

InChI

InChI=1S/C19H28N4O2S/c1-14(2)10-11-23-17(12-25-16-8-6-5-7-9-16)21-22-19(23)26-13-18(24)20-15(3)4/h5-9,14-15H,10-13H2,1-4H3,(H,20,24)