2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[[4-(2,4-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[[4-(2,4-dimethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[[4-(2,4-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C24H25N5OS MolecularWeight: 431.5532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)C3=C(N(C(=C3)C)C)C)C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)C3=C(N(C(=C3)C)C)C)C4=CN=CC=C4)C

InChI

InChI=1S/C24H25N5OS/c1-15-8-9-21(16(2)11-15)29-23(19-7-6-10-25-13-19)26-27-24(29)31-14-22(30)20-12-17(3)28(5)18(20)4/h6-13H,14H2,1-5H3