1-[2,4,6-trimethyl-3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[2,4,6-trimethyl-3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[2,4,6-trimethyl-3-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[2,4,6-trimethyl-3-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[2,4,6-trimethyl-3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[2,4,6-trimethyl-3-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone Formula: C18H19N3OS2 MolecularWeight: 357.49296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NNC(=N2)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NNC(=N2)C3=CC=CS3)C

InChI

InChI=1S/C18H19N3OS2/c1-10-8-11(2)16(13(4)22)12(3)14(10)9-24-18-19-17(20-21-18)15-6-5-7-23-15/h5-8H,9H2,1-4H3,(H,19,20,21)