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

Systemtic Name: 2-[4-[2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C20H19N5O4S3 MolecularWeight: 489.59096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)SC=C2

InChI

InChI=1S/C20H19N5O4S3/c1-23-19(27)15-6-11-30-18(15)22-20(23)31-13-17(26)24-7-9-25(10-8-24)32(28,29)16-5-3-2-4-14(16)12-21/h2-6,11H,7-10,13H2,1H3