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

Systemtic Name: N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylsulfanyl-ethanamide Openeye Name: N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylsulfanyl-acetamide CAS Name: N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(methylthio)acetamide IUPAC Name: N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylsulfanylacetamide Traditional Name: N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(methylthio)acetamide Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CSC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)[C@H](CCC3)NC(=O)CSC)C

InChI

InChI=1S/C18H23N3OS/c1-12-7-8-14(9-13(12)2)21-17-6-4-5-16(15(17)10-19-21)20-18(22)11-23-3/h7-10,16H,4-6,11H2,1-3H3,(H,20,22)/t16-/m0/s1