1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H24N4OS MolecularWeight: 368.49576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3C)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3C)C

InChI

InChI=1S/C20H24N4OS/c1-14-12-18(19(25)13-26-20-22-21-16(3)23(20)4)15(2)24(14)11-10-17-8-6-5-7-9-17/h5-9,12H,10-11,13H2,1-4H3