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

Systemtic Name: 1-[4-methoxy-3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C16H15N3O2S2/c1-10(20)11-5-6-13(21-2)12(8-11)9-23-16-17-15(18-19-16)14-4-3-7-22-14/h3-8H,9H2,1-2H3,(H,17,18,19)