N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-pyrimidylthio)acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CSC4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CSC4=NC=CC=N4)C

InChI

InChI=1S/C21H23N5OS/c1-14-6-3-8-18(15(14)2)26-19-9-4-7-17(16(19)12-24-26)25-20(27)13-28-21-22-10-5-11-23-21/h3,5-6,8,10-12,17H,4,7,9,13H2,1-2H3,(H,25,27)