4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one

Systemtic Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenyl-butan-1-one Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-24-16-11-9-15(10-12-16)18-20-19(22-21-18)25-13-5-8-17(23)14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,20,21,22)