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

Systemtic Name: N-methyl-2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-isopentyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-acetamide CAS Name: N-methyl-2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-methyl-2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-isoamyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenyl-acetamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SCC(=O)N(C)C2=CC=CC=C2)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=NN=C1SCC(=O)N(C)C2=CC=CC=C2)COC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2S/c1-18(2)14-15-27-21(16-29-20-12-8-5-9-13-20)24-25-23(27)30-17-22(28)26(3)19-10-6-4-7-11-19/h4-13,18H,14-17H2,1-3H3