N-(1,3-dimethylpyrazol-4-yl)azepane-1-carbothioamide

Systemtic Name: N-(1,3-dimethylpyrazol-4-yl)azepane-1-carbothioamide Openeye Name: N-(1,3-dimethylpyrazol-4-yl)azepane-1-carbothioamide CAS Name: N-(1,3-dimethyl-4-pyrazolyl)-1-azepanecarbothioamide IUPAC Name: N-(1,3-dimethylpyrazol-4-yl)azepane-1-carbothioamide Traditional Name: N-(1,3-dimethylpyrazol-4-yl)azepane-1-carbothioamide Formula: C12H20N4S MolecularWeight: 252.379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1NC(=S)N2CCCCCC2)C

Isomeric SMILES

CC1=NN(C=C1NC(=S)N2CCCCCC2)C

InChI

InChI=1S/C12H20N4S/c1-10-11(9-15(2)14-10)13-12(17)16-7-5-3-4-6-8-16/h9H,3-8H2,1-2H3,(H,13,17)