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

Systemtic Name: 1-(4-iodophenyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-iodophenyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-iodophenyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-iodophenyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-iodophenyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H14IN3OS MolecularWeight: 435.28203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H14IN3OS/c1-12-4-2-3-5-15(12)21-11-19-20-17(21)23-10-16(22)13-6-8-14(18)9-7-13/h2-9,11H,10H2,1H3