(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: (2S)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C21H20N4OS2 MolecularWeight: 408.5397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)SC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)[C@H](C)SC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H20N4OS2/c1-13-12-17(14(2)25(13)16-8-5-4-6-9-16)19(26)15(3)28-21-22-20(23-24-21)18-10-7-11-27-18/h4-12,15H,1-3H3,(H,22,23,24)/t15-/m0/s1