4-[4-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C24H21N5O3S2 MolecularWeight: 491.58524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C24H21N5O3S2/c25-14-17-6-8-19(9-7-17)34(31,32)29-12-10-28(11-13-29)15-21-26-23(30)22-20(16-33-24(22)27-21)18-4-2-1-3-5-18/h1-9,16H,10-13,15H2,(H,26,27,30)