2-[[5-(furan-2-yl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(furan-2-yl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(2-furyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(2-furanyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(furan-2-yl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(2-furyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

COCCCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C18H19N3O3S/c1-23-11-6-10-21-17(16-9-5-12-24-16)19-20-18(21)25-13-15(22)14-7-3-2-4-8-14/h2-5,7-9,12H,6,10-11,13H2,1H3