(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one CAS Name: (2S)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-propanone IUPAC Name: (2S)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]propan-1-one Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)SC3=NC4=C(N3)C=C(C=C4)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)[C@H](C)SC3=NC4=C(N3)C=C(C=C4)OC

InChI

InChI=1S/C23H23N3O2S/c1-14-12-19(15(2)26(14)17-8-6-5-7-9-17)22(27)16(3)29-23-24-20-11-10-18(28-4)13-21(20)25-23/h5-13,16H,1-4H3,(H,24,25)/t16-/m0/s1