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

Systemtic Name: N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-pyrimidylthio)acetamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c1-22(2)11-18(26-20(28)14-30-21-23-9-4-10-24-21)17-13-25-27(19(17)12-22)15-5-7-16(29-3)8-6-15/h4-10,13,18H,11-12,14H2,1-3H3,(H,26,28)