1-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetone Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C

InChI

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