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

Systemtic Name: 1-[4-methoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

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