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

Systemtic Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-iodophenyl)ethanone Openeye Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-iodophenyl)ethanone CAS Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(4-iodophenyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-iodophenyl)ethanone Traditional Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(4-iodophenyl)ethanone Formula: C15H16IN3OS MolecularWeight: 413.27651

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)I)C3CC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)I)C3CC3

InChI

InChI=1S/C15H16IN3OS/c1-2-19-14(11-3-4-11)17-18-15(19)21-9-13(20)10-5-7-12(16)8-6-10/h5-8,11H,2-4,9H2,1H3