1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C13H16N4OS MolecularWeight: 276.35734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC=NN2

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC=NN2

InChI

InChI=1S/C13H16N4OS/c1-4-5-17-9(2)6-11(10(17)3)12(18)7-19-13-14-8-15-16-13/h4,6,8H,1,5,7H2,2-3H3,(H,14,15,16)