N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-pyrimidylthio)acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(C1)N(N=C2)C3=CC=CC=C3)NC(=O)CSC4=NC=CC=N4)C

Isomeric SMILES

CC1(C[C@@H](C2=C(C1)N(N=C2)C3=CC=CC=C3)NC(=O)CSC4=NC=CC=N4)C

InChI

InChI=1S/C21H23N5OS/c1-21(2)11-17(25-19(27)14-28-20-22-9-6-10-23-20)16-13-24-26(18(16)12-21)15-7-4-3-5-8-15/h3-10,13,17H,11-12,14H2,1-2H3,(H,25,27)/t17-/m0/s1