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

Systemtic Name: 1-(azepan-1-yl)-2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC(=O)N2CCCCCC2)C3=CC=NC=C3

Isomeric SMILES

COCCCN1C(=NN=C1SCC(=O)N2CCCCCC2)C3=CC=NC=C3

InChI

InChI=1S/C19H27N5O2S/c1-26-14-6-13-24-18(16-7-9-20-10-8-16)21-22-19(24)27-15-17(25)23-11-4-2-3-5-12-23/h7-10H,2-6,11-15H2,1H3