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

Systemtic Name: 1-(azocan-1-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azocanyl)-2-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azocan-1-yl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCCCCCC2)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCCCCCC2)C3=CC=CO3

InChI

InChI=1S/C16H22N4O2S/c1-19-15(13-8-7-11-22-13)17-18-16(19)23-12-14(21)20-9-5-3-2-4-6-10-20/h7-8,11H,2-6,9-10,12H2,1H3