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

Systemtic Name: N-(4-iodanyl-2-propan-2-yl-phenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-iodo-2-isopropyl-phenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-iodo-2-propan-2-ylphenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-iodo-2-propan-2-ylphenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-iodo-2-isopropyl-phenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23IN4O2S MolecularWeight: 522.40239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)I)NC(=O)CSC2=NN=C(N2C)COC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)I)NC(=O)CSC2=NN=C(N2C)COC3=CC=CC=C3

InChI

InChI=1S/C21H23IN4O2S/c1-14(2)17-11-15(22)9-10-18(17)23-20(27)13-29-21-25-24-19(26(21)3)12-28-16-7-5-4-6-8-16/h4-11,14H,12-13H2,1-3H3,(H,23,27)