1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=CN2C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=CN2C

InChI

InChI=1S/C13H16N4O2S/c1-7-11(9(3)18)8(2)15-12(7)10(19)5-20-13-16-14-6-17(13)4/h6,15H,5H2,1-4H3