2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)CSC3=NNC(=N3)C(C)(C)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)CSC3=NNC(=N3)C(C)(C)C)C)C

InChI

InChI=1S/C22H28N4OS/c1-13-8-14(2)10-17(9-13)26-15(3)11-18(16(26)4)19(27)12-28-21-23-20(24-25-21)22(5,6)7/h8-11H,12H2,1-7H3,(H,23,24,25)