1-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NC=NN2

Isomeric SMILES

CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NC=NN2

InChI

InChI=1S/C14H20N4O2S/c1-9-5-12(11(3)18(9)10(2)6-20-4)13(19)7-21-14-15-8-16-17-14/h5,8,10H,6-7H2,1-4H3,(H,15,16,17)