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

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

CC1=NN=C(N1C2CC2)SCC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C14H14IN3OS/c1-9-16-17-14(18(9)12-6-7-12)20-8-13(19)10-2-4-11(15)5-3-10/h2-5,12H,6-8H2,1H3