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

Systemtic Name: N-(2-iodanylphenyl)-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-iodophenyl)acetamide CAS Name: N-(2-iodophenyl)-2-[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-iodophenyl)-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-(2-iodophenyl)acetamide Formula: C18H17IN4O2S MolecularWeight: 480.32265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3I

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C18H17IN4O2S/c1-3-9-23-17(13-8-10-25-12(13)2)21-22-18(23)26-11-16(24)20-15-7-5-4-6-14(15)19/h3-8,10H,1,9,11H2,2H3,(H,20,24)