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

Systemtic Name: N-[3-[4-(4-ethoxyphenyl)-5-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[4-(4-ethoxyphenyl)-5-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(4-ethoxyphenyl)-5-[[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl]thio]-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(4-ethoxyphenyl)-5-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[5-[[2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl]thio]-4-p-phenetyl-1,2,4-triazol-3-yl]propyl]acetamide Formula: C27H33N5O5S2 MolecularWeight: 571.71142

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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)CCCNC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O5S2/c1-3-37-23-12-10-22(11-13-23)32-26(7-6-16-28-20(2)33)29-30-27(32)38-19-25(34)21-8-14-24(15-9-21)39(35,36)31-17-4-5-18-31/h8-15H,3-7,16-19H2,1-2H3,(H,28,33)