N-(1-methylpyrazol-3-yl)azepane-1-carbothioamide

Systemtic Name: N-(1-methylpyrazol-3-yl)azepane-1-carbothioamide Openeye Name: N-(1-methylpyrazol-3-yl)azepane-1-carbothioamide CAS Name: N-(1-methyl-3-pyrazolyl)-1-azepanecarbothioamide IUPAC Name: N-(1-methylpyrazol-3-yl)azepane-1-carbothioamide Traditional Name: N-(1-methylpyrazol-3-yl)azepane-1-carbothioamide Formula: C11H18N4S MolecularWeight: 238.35242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N4S/c1-14-9-6-10(13-14)12-11(16)15-7-4-2-3-5-8-15/h6,9H,2-5,7-8H2,1H3,(H,12,13,16)