1-(azepan-1-yl)-2-[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(3-methoxy-1-methyl-4-pyrazolyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(3-methoxy-1-methylpyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H24N6O2S MolecularWeight: 364.46576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)OC)C2=NN=C(N2C)SCC(=O)N3CCCCCC3

Isomeric SMILES

CN1C=C(C(=N1)OC)C2=NN=C(N2C)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C16H24N6O2S/c1-20-10-12(15(19-20)24-3)14-17-18-16(21(14)2)25-11-13(23)22-8-6-4-5-7-9-22/h10H,4-9,11H2,1-3H3