1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[(2S)-2-methylindolin-1-yl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanone CAS Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[4-(1-pyrazolyl)phenyl]methylthio]ethanone IUPAC Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanone Traditional Name: 1-[(2S)-2-methylindolin-1-yl]-2-[(4-pyrazol-1-ylbenzyl)thio]ethanone Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CSCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)CSCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H21N3OS/c1-16-13-18-5-2-3-6-20(18)24(16)21(25)15-26-14-17-7-9-19(10-8-17)23-12-4-11-22-23/h2-12,16H,13-15H2,1H3/t16-/m0/s1