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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C15H20N4O2S MolecularWeight: 320.4099

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCCCCC2)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCCCCC2)C3=CC=CO3

InChI

InChI=1S/C15H20N4O2S/c1-18-14(12-7-6-10-21-12)16-17-15(18)22-11-13(20)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9,11H2,1H3