1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-(4-pyrrolidinosulfonylphenyl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C18H17N3O3S3 MolecularWeight: 419.54088

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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=C3C=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C18H17N3O3S3/c22-16(11-26-18-15-7-10-25-17(15)19-12-20-18)13-3-5-14(6-4-13)27(23,24)21-8-1-2-9-21/h3-7,10,12H,1-2,8-9,11H2