2-[[4-ethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-ethanamide

Systemtic Name: 2-[[4-ethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-ethanamide Openeye Name: 2-[[4-ethyl-5-[4-(1-piperidylsulfonyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-acetamide CAS Name: 2-[[4-ethyl-5-[4-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-N,N-diphenylacetamide IUPAC Name: 2-[[4-ethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide Traditional Name: 2-[[4-ethyl-5-(4-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-N,N-diphenyl-acetamide Formula: C29H31N5O3S2 MolecularWeight: 561.71814

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C29H31N5O3S2/c1-2-33-28(23-16-18-26(19-17-23)39(36,37)32-20-10-5-11-21-32)30-31-29(33)38-22-27(35)34(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-4,6-9,12-19H,2,5,10-11,20-22H2,1H3