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

Systemtic Name: 2-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodanylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodophenyl)acetamide CAS Name: 2-[[4-amino-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-N-(3-iodophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodophenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-(3-iodophenyl)acetamide Formula: C15H14IN5O2S MolecularWeight: 455.27343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C15H14IN5O2S/c1-9-12(5-6-23-9)14-19-20-15(21(14)17)24-8-13(22)18-11-4-2-3-10(16)7-11/h2-7H,8,17H2,1H3,(H,18,22)