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

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-11-16(13(3)23)12(2)20-17(11)15(24)9-25-18-21-19-10-22(18)14-7-5-4-6-8-14/h4-8,10,20H,9H2,1-3H3