N-(azepan-1-ylcarbothioyl)-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-2-methyl-pyrazole-3-carboxamide Openeye Name: N-(azepane-1-carbothioyl)-2-methyl-pyrazole-3-carboxamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-(azepane-1-carbothioyl)-2-methylpyrazole-3-carboxamide Traditional Name: N-(azepane-1-carbothioyl)-2-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/c1-15-10(6-7-13-15)11(17)14-12(18)16-8-4-2-3-5-9-16/h6-7H,2-5,8-9H2,1H3,(H,14,17,18)