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

Systemtic Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C26H28N4OS MolecularWeight: 444.59172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC(=C(C=C3)C)C)C)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC(=C(C=C3)C)C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4OS/c1-6-29-25(21-10-8-7-9-11-21)27-28-26(29)32-16-24(31)23-15-19(4)30(20(23)5)22-13-12-17(2)18(3)14-22/h7-15H,6,16H2,1-5H3