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

Systemtic Name: 1-(5-chloranyl-1-benzofuran-2-yl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(5-chlorobenzofuran-2-yl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(5-chloro-2-benzofuranyl)-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(5-chloro-1-benzofuran-2-yl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(5-chlorobenzofuran-2-yl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H13ClN4O2S MolecularWeight: 384.83942

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC3=C(O2)C=CC(=C3)Cl)C4=CN=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC3=C(O2)C=CC(=C3)Cl)C4=CN=CC=C4

InChI

InChI=1S/C18H13ClN4O2S/c1-23-17(11-3-2-6-20-9-11)21-22-18(23)26-10-14(24)16-8-12-7-13(19)4-5-15(12)25-16/h2-9H,10H2,1H3