2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C20H22N4O3S3 MolecularWeight: 462.60868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)CC4=CC=CS4

InChI

InChI=1S/C20H22N4O3S3/c1-23-19(13-16-5-4-12-28-16)21-22-20(23)29-14-18(25)15-6-8-17(9-7-15)30(26,27)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13-14H2,1H3