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

Systemtic Name: 1-(azepan-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCCCC2)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCCCC2)C3=CC=NC=C3

InChI

InChI=1S/C17H23N5OS/c1-2-22-16(14-7-9-18-10-8-14)19-20-17(22)24-13-15(23)21-11-5-3-4-6-12-21/h7-10H,2-6,11-13H2,1H3