2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]ethanone CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-[2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]ethanone IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]ethanone Formula: C22H21N5OS2 MolecularWeight: 435.56504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=CS5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=CS5

InChI

InChI=1S/C22H21N5OS2/c1-14-12-17(15(2)26(14)20-7-3-4-10-23-20)18(28)13-30-22-25-24-21(19-6-5-11-29-19)27(22)16-8-9-16/h3-7,10-12,16H,8-9,13H2,1-2H3