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

Systemtic Name: N-(2-iodanylphenyl)-2-[[5-(phenoxymethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-iodophenyl)-2-[[5-(phenoxymethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-iodophenyl)-2-[[5-(phenoxymethyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-iodophenyl)-2-[[5-(phenoxymethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-iodophenyl)-2-[[5-(phenoxymethyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H21IN4O2S MolecularWeight: 508.37581

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2I)COC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2I)COC3=CC=CC=C3

InChI

InChI=1S/C20H21IN4O2S/c1-2-12-25-18(13-27-15-8-4-3-5-9-15)23-24-20(25)28-14-19(26)22-17-11-7-6-10-16(17)21/h3-11H,2,12-14H2,1H3,(H,22,26)