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

Systemtic Name: 1-(azepan-1-yl)-2-[[4-(2-methoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-(2-methoxyethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-(2-methoxyethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-(2-methoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-(2-methoxyethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC(=O)N2CCCCCC2)C3=CN=CC=C3

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)N2CCCCCC2)C3=CN=CC=C3

InChI

InChI=1S/C18H25N5O2S/c1-25-12-11-23-17(15-7-6-8-19-13-15)20-21-18(23)26-14-16(24)22-9-4-2-3-5-10-22/h6-8,13H,2-5,9-12,14H2,1H3