2-[[4-ethyl-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)ethanamide

Systemtic Name: 2-[[4-ethyl-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)ethanamide Openeye Name: 2-[[5-(benzylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide CAS Name: 2-[[4-ethyl-5-[(phenylmethylthio)methyl]-1,2,4-triazol-3-yl]thio]-N-(4-iodophenyl)acetamide IUPAC Name: 2-[[5-(benzylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide Traditional Name: 2-[[5-[(benzylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(4-iodophenyl)acetamide Formula: C20H21IN4OS2 MolecularWeight: 524.44141

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)I)CSCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)I)CSCC3=CC=CC=C3

InChI

InChI=1S/C20H21IN4OS2/c1-2-25-18(13-27-12-15-6-4-3-5-7-15)23-24-20(25)28-14-19(26)22-17-10-8-16(21)9-11-17/h3-11H,2,12-14H2,1H3,(H,22,26)