2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone

Systemtic Name: 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone Openeye Name: 2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone CAS Name: 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-(2,4,6-trimethylphenyl)ethanone IUPAC Name: 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone Traditional Name: 1-mesityl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H17N3OS2 MolecularWeight: 343.46638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NNC(=N2)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NNC(=N2)C3=CC=CS3)C

InChI

InChI=1S/C17H17N3OS2/c1-10-7-11(2)15(12(3)8-10)13(21)9-23-17-18-16(19-20-17)14-5-4-6-22-14/h4-8H,9H2,1-3H3,(H,18,19,20)