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

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C15H22N4OS MolecularWeight: 306.42638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NNC(=N2)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NNC(=N2)C(C)(C)C

InChI

InChI=1S/C15H22N4OS/c1-9-7-11(10(2)19(9)6)12(20)8-21-14-16-13(17-18-14)15(3,4)5/h7H,8H2,1-6H3,(H,16,17,18)