2-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]piperazino]sulfonylbenzonitrile Formula: C19H17N5O3S3 MolecularWeight: 459.56498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=NC3=C2C=CS3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=NC3=C2C=CS3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H17N5O3S3/c20-11-14-3-1-2-4-16(14)30(26,27)24-8-6-23(7-9-24)17(25)12-29-19-15-5-10-28-18(15)21-13-22-19/h1-5,10,13H,6-9,12H2