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

Systemtic Name: 1-(azocan-1-yl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azocanyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azocan-1-yl)-2-[[5-(2-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=C3OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCCCCCC2)C3=CC=CC=C3OC

InChI

InChI=1S/C19H26N4O2S/c1-22-18(15-10-6-7-11-16(15)25-2)20-21-19(22)26-14-17(24)23-12-8-4-3-5-9-13-23/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3