N-(azepan-1-ylcarbothioyl)-4-bromanyl-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-4-bromanyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-(azepane-1-carbothioyl)-4-bromo-2-methyl-pyrazole-3-carboxamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-4-bromo-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-(azepane-1-carbothioyl)-4-bromo-2-methylpyrazole-3-carboxamide Traditional Name: N-(azepane-1-carbothioyl)-4-bromo-2-methyl-pyrazole-3-carboxamide Formula: C12H17BrN4OS MolecularWeight: 345.25858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN4OS/c1-16-10(9(13)8-14-16)11(18)15-12(19)17-6-4-2-3-5-7-17/h8H,2-7H2,1H3,(H,15,18,19)