1-(5-chloranyl-1-benzofuran-2-yl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(5-chloranyl-1-benzofuran-2-yl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(5-chlorobenzofuran-2-yl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(5-chloro-2-benzofuranyl)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(5-chloro-1-benzofuran-2-yl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(5-chlorobenzofuran-2-yl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H15ClN4O2S MolecularWeight: 410.8767

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C3=CC4=C(O3)C=CC(=C4)Cl)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C3=CC4=C(O3)C=CC(=C4)Cl)C5=CN=CC=C5

InChI

InChI=1S/C20H15ClN4O2S/c21-14-3-6-17-13(8-14)9-18(27-17)16(26)11-28-20-24-23-19(25(20)15-4-5-15)12-2-1-7-22-10-12/h1-3,6-10,15H,4-5,11H2