N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(methylthio)nicotinamide 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)C4=C(N=CC=C4)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)[C@H](CCC3)NC(=O)C4=C(N=CC=C4)SC)C

InChI

InChI=1S/C22H24N4OS/c1-14-9-10-16(12-15(14)2)26-20-8-4-7-19(18(20)13-24-26)25-21(27)17-6-5-11-23-22(17)28-3/h5-6,9-13,19H,4,7-8H2,1-3H3,(H,25,27)/t19-/m0/s1