1-[3-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[5-benzylsulfanyl-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[3-(4-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[5-benzylsulfanyl-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[5-(benzylthio)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]ethanone Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)SCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-13(22)21-18(24-12-14-6-4-3-5-7-14)19-17(20-21)15-8-10-16(23-2)11-9-15/h3-11H,12H2,1-2H3