N-(1,3,5-trimethylpyrazol-4-yl)azepane-1-carbothioamide

Systemtic Name: N-(1,3,5-trimethylpyrazol-4-yl)azepane-1-carbothioamide Openeye Name: N-(1,3,5-trimethylpyrazol-4-yl)azepane-1-carbothioamide CAS Name: N-(1,3,5-trimethyl-4-pyrazolyl)-1-azepanecarbothioamide IUPAC Name: N-(1,3,5-trimethylpyrazol-4-yl)azepane-1-carbothioamide Traditional Name: N-(1,3,5-trimethylpyrazol-4-yl)azepane-1-carbothioamide Formula: C13H22N4S MolecularWeight: 266.40558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=S)N2CCCCCC2

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=S)N2CCCCCC2

InChI

InChI=1S/C13H22N4S/c1-10-12(11(2)16(3)15-10)14-13(18)17-8-6-4-5-7-9-17/h4-9H2,1-3H3,(H,14,18)