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

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[3-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-2-phenylethanone IUPAC Name: 1-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-2-phenylethanone Traditional Name: 1-[3-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-2-phenyl-ethanone Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=N2)SC)C(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=N2)SC)C(=O)CC3=CC=CC=C3

InChI

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