4-cyclohexyl-2-methylsulfanyl-5-[2-(phenylsulfamoylamino)pyrimidin-4-yl]thiophene-3-carbonitrile

Systemtic Name: 4-cyclohexyl-2-methylsulfanyl-5-[2-(phenylsulfamoylamino)pyrimidin-4-yl]thiophene-3-carbonitrile Openeye Name: 4-cyclohexyl-2-methylsulfanyl-5-[2-(phenylsulfamoylamino)pyrimidin-4-yl]thiophene-3-carbonitrile CAS Name: 4-cyclohexyl-2-(methylthio)-5-[2-(phenylsulfamoylamino)-4-pyrimidinyl]-3-thiophenecarbonitrile IUPAC Name: 4-cyclohexyl-2-methylsulfanyl-5-[2-(phenylsulfamoylamino)pyrimidin-4-yl]thiophene-3-carbonitrile Traditional Name: 4-cyclohexyl-2-(methylthio)-5-[2-(phenylsulfamoylamino)pyrimidin-4-yl]thiophene-3-carbonitrile Formula: C22H23N5O2S3 MolecularWeight: 485.64532

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NS(=O)(=O)NC3=CC=CC=C3)C4CCCCC4)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NS(=O)(=O)NC3=CC=CC=C3)C4CCCCC4)C#N

InChI

InChI=1S/C22H23N5O2S3/c1-30-21-17(14-23)19(15-8-4-2-5-9-15)20(31-21)18-12-13-24-22(25-18)27-32(28,29)26-16-10-6-3-7-11-16/h3,6-7,10-13,15,26H,2,4-5,8-9H2,1H3,(H,24,25,27)