N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylthio)acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C25H27N5OS2 MolecularWeight: 477.64478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5OS2/c1-25(2,3)19-13-20(30(29-19)16-9-5-4-6-10-16)28-21(31)14-32-23-22-17-11-7-8-12-18(17)33-24(22)27-15-26-23/h4-6,9-10,13,15H,7-8,11-12,14H2,1-3H3,(H,28,31)