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

Systemtic Name: N-(4-iodophenyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodophenyl)acetamide CAS Name: N-(4-iodophenyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodophenyl)acetamide Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(4-iodophenyl)acetamide Formula: C18H17IN4OS MolecularWeight: 464.32325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)I)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)I)CC3=CC=CC=C3

InChI

InChI=1S/C18H17IN4OS/c1-23-16(11-13-5-3-2-4-6-13)21-22-18(23)25-12-17(24)20-15-9-7-14(19)8-10-15/h2-10H,11-12H2,1H3,(H,20,24)