2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COCCN1C=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H22N4O4S2/c1-25-11-10-20-13-18-19-17(20)26-12-16(22)14-4-6-15(7-5-14)27(23,24)21-8-2-3-9-21/h4-7,13H,2-3,8-12H2,1H3