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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(2-methylfuran-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(2-methyl-3-furyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(2-methyl-3-furanyl)-4-propyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(2-methylfuran-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(2-methyl-3-furyl)-4-propyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H26N4O2S MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)N2CCCCCC2)C3=C(OC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)N2CCCCCC2)C3=C(OC=C3)C

InChI

InChI=1S/C18H26N4O2S/c1-3-9-22-17(15-8-12-24-14(15)2)19-20-18(22)25-13-16(23)21-10-6-4-5-7-11-21/h8,12H,3-7,9-11,13H2,1-2H3