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

Systemtic Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(N2C)C3CC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(N2C)C3CC3

InChI

InChI=1S/C16H20N4O2S/c1-8-13(10(3)21)9(2)17-14(8)12(22)7-23-16-19-18-15(20(16)4)11-5-6-11/h11,17H,5-7H2,1-4H3