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

Systemtic Name: 1-(azocan-1-yl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azocanyl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azocan-1-yl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2S/c1-22-18(15-9-8-10-16(13-15)25-2)20-21-19(22)26-14-17(24)23-11-6-4-3-5-7-12-23/h8-10,13H,3-7,11-12,14H2,1-2H3