1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1H-1,2,4-triazol-5-ylthio)-1-propanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1H-1,2,4-triazol-5-ylthio)propan-1-one Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NC=NN2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NC=NN2

InChI

InChI=1S/C13H16N4O2S/c1-6-10(8(3)18)7(2)16-11(6)12(19)9(4)20-13-14-5-15-17-13/h5,9,16H,1-4H3,(H,14,15,17)