1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(4-pyrrolidinosulfonylphenyl)-2-(quinazolin-4-ylthio)ethanone Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H19N3O3S2/c24-19(13-27-20-17-5-1-2-6-18(17)21-14-22-20)15-7-9-16(10-8-15)28(25,26)23-11-3-4-12-23/h1-2,5-10,14H,3-4,11-13H2