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

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[5-benzylsulfanyl-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3-(4-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[5-benzylsulfanyl-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[5-(benzylthio)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-one Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S/c1-3-17(23)22-19(25-13-14-7-5-4-6-8-14)20-18(21-22)15-9-11-16(24-2)12-10-15/h4-12H,3,13H2,1-2H3