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

Systemtic Name: N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-pyridylthio)acetamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)[C@@H](CCC3)NC(=O)CSC4=CC=CC=N4)C

InChI

InChI=1S/C22H24N4OS/c1-15-9-10-17(12-16(15)2)26-20-7-5-6-19(18(20)13-24-26)25-21(27)14-28-22-8-3-4-11-23-22/h3-4,8-13,19H,5-7,14H2,1-2H3,(H,25,27)/t19-/m1/s1