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

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-2-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-2-[[4-isobutyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-iodo-2-methylphenyl)-2-[[4-(2-methylpropyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-iodo-2-methylphenyl)-2-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-2-[[4-isobutyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H22IN5OS MolecularWeight: 507.39105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NN=C(N2CC(C)C)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NN=C(N2CC(C)C)C3=CN=CC=C3

InChI

InChI=1S/C20H22IN5OS/c1-13(2)11-26-19(15-5-4-8-22-10-15)24-25-20(26)28-12-18(27)23-17-7-6-16(21)9-14(17)3/h4-10,13H,11-12H2,1-3H3,(H,23,27)