1-[4-methoxy-3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC(=C3)C(=O)C)OC

InChI

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