N-pyridin-3-ylazepane-1-carbothioamide

Systemtic Name: N-pyridin-3-ylazepane-1-carbothioamide Openeye Name: N-(3-pyridyl)azepane-1-carbothioamide CAS Name: N-(3-pyridinyl)-1-azepanecarbothioamide IUPAC Name: N-pyridin-3-ylazepane-1-carbothioamide Traditional Name: N-(3-pyridyl)azepane-1-carbothioamide Formula: C12H17N3S MolecularWeight: 235.34848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC2=CN=CC=C2

Isomeric SMILES

C1CCCN(CC1)C(=S)NC2=CN=CC=C2

InChI

InChI=1S/C12H17N3S/c16-12(14-11-6-5-7-13-10-11)15-8-3-1-2-4-9-15/h5-7,10H,1-4,8-9H2,(H,14,16)