1-[4-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[2-hydroxy-3-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propoxy]phenyl]ethanone CAS Name: 1-[4-[2-hydroxy-3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propoxy]phenyl]ethanone IUPAC Name: 1-[4-[2-hydroxy-3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]phenyl]ethanone Traditional Name: 1-[4-[2-hydroxy-3-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propoxy]phenyl]ethanone Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=C(N2C)C3=CC=CS3)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=C(N2C)C3=CC=CS3)O

InChI

InChI=1S/C18H19N3O3S2/c1-12(22)13-5-7-15(8-6-13)24-10-14(23)11-26-18-20-19-17(21(18)2)16-4-3-9-25-16/h3-9,14,23H,10-11H2,1-2H3