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

Systemtic Name: N-(4-iodanyl-3-methyl-phenyl)-2-[[4-(3-methoxypropyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-iodo-3-methyl-phenyl)-2-[[4-(3-methoxypropyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-iodo-3-methylphenyl)-2-[[4-(3-methoxypropyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-iodo-3-methylphenyl)-2-[[4-(3-methoxypropyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-iodo-3-methyl-phenyl)-2-[[4-(3-methoxypropyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H21IN4O2S MolecularWeight: 460.33301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2CCCOC)C)I

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2CCCOC)C)I

InChI

InChI=1S/C16H21IN4O2S/c1-11-9-13(5-6-14(11)17)18-15(22)10-24-16-20-19-12(2)21(16)7-4-8-23-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,22)