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

Systemtic Name: N-(4-iodophenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide CAS Name: N-(4-iodophenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-iodophenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-iodophenyl)acetamide Formula: C20H19IN4O2S MolecularWeight: 506.35993

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C20H19IN4O2S/c1-3-11-25-19(14-5-4-6-17(12-14)27-2)23-24-20(25)28-13-18(26)22-16-9-7-15(21)8-10-16/h3-10,12H,1,11,13H2,2H3,(H,22,26)