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

Systemtic Name: N-(3-iodanylphenyl)-2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodophenyl)acetamide CAS Name: N-(3-iodophenyl)-2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-iodophenyl)-2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-iodophenyl)acetamide Formula: C22H23IN4O2S MolecularWeight: 534.41309

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C22H23IN4O2S/c1-4-11-27-21(16-7-5-10-19(12-16)29-15(2)3)25-26-22(27)30-14-20(28)24-18-9-6-8-17(23)13-18/h4-10,12-13,15H,1,11,14H2,2-3H3,(H,24,28)