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

Systemtic Name: 2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azepan-1-yl)ethanone Openeye Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azepan-1-yl)ethanone CAS Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-azepanyl)ethanone IUPAC Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azepan-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(azepan-1-yl)ethanone Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C17H23N5O2S/c1-24-14-9-5-4-8-13(14)16-19-20-17(22(16)18)25-12-15(23)21-10-6-2-3-7-11-21/h4-5,8-9H,2-3,6-7,10-12,18H2,1H3