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

Systemtic Name: 1-[4-methoxy-3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=C(C=CC(=C2)C(=O)C)OC)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=C(C=CC(=C2)C(=O)C)OC)C3=CC(=CC=C3)C

InChI

InChI=1S/C22H25N3O2S/c1-5-11-25-21(18-8-6-7-15(2)12-18)23-24-22(25)28-14-19-13-17(16(3)26)9-10-20(19)27-4/h6-10,12-13H,5,11,14H2,1-4H3