2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-iodophenyl)ethanone

Systemtic Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-iodophenyl)ethanone Openeye Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-iodophenyl)ethanone CAS Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-iodophenyl)ethanone IUPAC Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-iodophenyl)ethanone Traditional Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-iodophenyl)ethanone Formula: C17H20IN3OS MolecularWeight: 441.32967

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1CCC(C1)CCC2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H20IN3OS/c18-14-8-6-13(7-9-14)15(22)11-23-17-19-16(20-21-17)10-5-12-3-1-2-4-12/h6-9,12H,1-5,10-11H2,(H,19,20,21)