1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanone Openeye Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanone CAS Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]ethanone IUPAC Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanone Traditional Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]ethanone Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN4C(=CC(=NC4=N3)C)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN4C(=CC(=NC4=N3)C)C)C)C

InChI

InChI=1S/C23H25N5OS/c1-13-7-8-19(9-14(13)2)27-16(4)11-20(18(27)6)21(29)12-30-23-25-22-24-15(3)10-17(5)28(22)26-23/h7-11H,12H2,1-6H3