2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone

Systemtic Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Openeye Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylphenyl)ethanone CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(4-methylsulfonylphenyl)ethanone IUPAC Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(4-mesylphenyl)ethanone Formula: C17H17N3O3S3 MolecularWeight: 407.53018

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CS3

InChI

InChI=1S/C17H17N3O3S3/c1-3-20-16(15-5-4-10-24-15)18-19-17(20)25-11-14(21)12-6-8-13(9-7-12)26(2,22)23/h4-10H,3,11H2,1-2H3