2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C23H25N5O3S2 MolecularWeight: 483.6063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CSC4=NNC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CSC4=NNC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C23H25N5O3S2/c29-21(16-32-23-24-22(25-26-23)17-7-2-1-3-8-17)28-14-6-9-18-15-19(10-11-20(18)28)33(30,31)27-12-4-5-13-27/h1-3,7-8,10-11,15H,4-6,9,12-14,16H2,(H,24,25,26)