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

Systemtic Name: N-(4-iodanyl-2-propan-2-yl-phenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-iodo-2-isopropyl-phenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-iodo-2-propan-2-ylphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-iodo-2-propan-2-ylphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-iodo-2-isopropyl-phenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-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)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23IN4O2S/c1-13(2)17-11-15(22)7-10-18(17)23-19(27)12-29-21-25-24-20(26(21)3)14-5-8-16(28-4)9-6-14/h5-11,13H,12H2,1-4H3,(H,23,27)