1-(azepan-1-yl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2SCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCC(=O)N3CCCCCC3

InChI

InChI=1S/C17H22N4O2S/c1-23-15-8-6-7-14(11-15)21-13-18-19-17(21)24-12-16(22)20-9-4-2-3-5-10-20/h6-8,11,13H,2-5,9-10,12H2,1H3