1-(1-methyl-3-thiophen-2-yl-pyrazol-4-yl)sulfonylazepane

Systemtic Name: 1-(1-methyl-3-thiophen-2-yl-pyrazol-4-yl)sulfonylazepane Openeye Name: 1-[1-methyl-3-(2-thienyl)pyrazol-4-yl]sulfonylazepane CAS Name: 1-[(1-methyl-3-thiophen-2-yl-4-pyrazolyl)sulfonyl]azepane IUPAC Name: 1-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylazepane Traditional Name: 1-[1-methyl-3-(2-thienyl)pyrazol-4-yl]sulfonylazepane Formula: C14H19N3O2S2 MolecularWeight: 325.44956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CS2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CS2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C14H19N3O2S2/c1-16-11-13(14(15-16)12-7-6-10-20-12)21(18,19)17-8-4-2-3-5-9-17/h6-7,10-11H,2-5,8-9H2,1H3