3-[[4-(4-cyano-5-methylsulfanyl-3-phenyl-thiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-(4-cyano-5-methylsulfanyl-3-phenyl-thiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-(4-cyano-5-methylsulfanyl-3-phenyl-2-thienyl)pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-[4-cyano-5-(methylthio)-3-phenyl-2-thiophenyl]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-(4-cyano-5-methylsulfanyl-3-phenylthiophen-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-[4-cyano-5-(methylthio)-3-phenyl-2-thienyl]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C22H17N5O2S3 MolecularWeight: 479.59768

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC(=CC=C3)S(=O)(=O)N)C4=CC=CC=C4)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC(=CC=C3)S(=O)(=O)N)C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H17N5O2S3/c1-30-21-17(13-23)19(14-6-3-2-4-7-14)20(31-21)18-10-11-25-22(27-18)26-15-8-5-9-16(12-15)32(24,28)29/h2-12H,1H3,(H2,24,28,29)(H,25,26,27)