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

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-iodophenyl)ethanone Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-iodophenyl)ethanone CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-(4-iodophenyl)ethanone IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-iodophenyl)ethanone Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-(4-iodophenyl)ethanone Formula: C16H16IN3OS MolecularWeight: 425.28721

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC(=O)C4=CC=C(C=C4)I

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC(=O)C4=CC=C(C=C4)I

InChI

InChI=1S/C16H16IN3OS/c17-12-5-3-10(4-6-12)14(21)9-22-16-19-18-15(11-1-2-11)20(16)13-7-8-13/h3-6,11,13H,1-2,7-9H2