N-[2-[4-(4-ethoxyphenyl)-5-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]ethanamide

Systemtic Name: N-[2-[4-(4-ethoxyphenyl)-5-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]ethanamide Openeye Name: N-[2-[4-(4-ethoxyphenyl)-5-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide CAS Name: N-[2-[4-(4-ethoxyphenyl)-5-[[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl]thio]-1,2,4-triazol-3-yl]ethyl]acetamide IUPAC Name: N-[2-[4-(4-ethoxyphenyl)-5-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide Traditional Name: N-[2-[5-[[2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl]thio]-4-p-phenetyl-1,2,4-triazol-3-yl]ethyl]acetamide Formula: C26H31N5O5S2 MolecularWeight: 557.68484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)CCNC(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)CCNC(=O)C

InChI

InChI=1S/C26H31N5O5S2/c1-3-36-22-10-8-21(9-11-22)31-25(14-15-27-19(2)32)28-29-26(31)37-18-24(33)20-6-12-23(13-7-20)38(34,35)30-16-4-5-17-30/h6-13H,3-5,14-18H2,1-2H3,(H,27,32)