N-(azepan-1-ylcarbothioyl)-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-1-methyl-pyrazole-3-carboxamide Openeye Name: N-(azepane-1-carbothioyl)-1-methyl-pyrazole-3-carboxamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-(azepane-1-carbothioyl)-1-methylpyrazole-3-carboxamide Traditional Name: N-(azepane-1-carbothioyl)-1-methyl-pyrazole-3-carboxamide Formula: C12H18N4OS MolecularWeight: 266.36252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)NC(=S)N2CCCCCC2

Isomeric SMILES

CN1C=CC(=N1)C(=O)NC(=S)N2CCCCCC2

InChI

InChI=1S/C12H18N4OS/c1-15-9-6-10(14-15)11(17)13-12(18)16-7-4-2-3-5-8-16/h6,9H,2-5,7-8H2,1H3,(H,13,17,18)