(2S)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(1H-indol-3-yl)propan-1-one

Systemtic Name: (2S)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(1H-indol-3-yl)propan-1-one Openeye Name: (2S)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(1H-indol-3-yl)propan-1-one CAS Name: (2S)-2-[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]-1-(1H-indol-3-yl)-1-propanone IUPAC Name: (2S)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(1H-indol-3-yl)propan-1-one Traditional Name: (2S)-2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]-1-(1H-indol-3-yl)propan-1-one Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN=C2SC(C)C(=O)C3=CNC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN=C2S[C@@H](C)C(=O)C3=CNC4=CC=CC=C43)C

InChI

InChI=1S/C22H21N3OS/c1-14-8-9-20(15(2)12-14)25-11-10-23-22(25)27-16(3)21(26)18-13-24-19-7-5-4-6-17(18)19/h4-13,16,24H,1-3H3/t16-/m0/s1