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

Systemtic Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(3-piperidinosulfonylphenyl)acetamide Formula: C28H31N5O3S3 MolecularWeight: 581.77244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=C(N3CCC4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=C(N3CCC4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C28H31N5O3S3/c34-27(29-23-11-7-13-25(19-23)39(35,36)32-15-5-2-6-16-32)21-38-28-31-30-26(20-24-12-8-18-37-24)33(28)17-14-22-9-3-1-4-10-22/h1,3-4,7-13,18-19H,2,5-6,14-17,20-21H2,(H,29,34)