2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(3-piperidinosulfonylphenyl)acetamide Formula: C21H25N5O3S3 MolecularWeight: 491.6499

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C21H25N5O3S3/c1-25-19(14-17-8-6-12-30-17)23-24-21(25)31-15-20(27)22-16-7-5-9-18(13-16)32(28,29)26-10-3-2-4-11-26/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H,22,27)