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

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[3-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[3-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=N2)SC)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=N2)SC)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-24-16-11-9-15(10-12-16)18-20-19(25-2)22(21-18)17(23)13-8-14-6-4-3-5-7-14/h3-7,9-12H,8,13H2,1-2H3