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

Systemtic Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-iodophenyl)ethanone Openeye Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-iodophenyl)ethanone CAS Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-(4-iodophenyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-iodophenyl)ethanone Traditional Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-(4-iodophenyl)ethanone Formula: C14H14IN3OS MolecularWeight: 399.24993

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)I)C3CC3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)I)C3CC3

InChI

InChI=1S/C14H14IN3OS/c1-18-13(10-2-3-10)16-17-14(18)20-8-12(19)9-4-6-11(15)7-5-9/h4-7,10H,2-3,8H2,1H3