N-(2-chloranyl-5-nitro-phenyl)azocane-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)azocane-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)azocane-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-1-azocanecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)azocane-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)azocane-1-carbothioamide Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCN(CCC1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H18ClN3O2S/c15-12-7-6-11(18(19)20)10-13(12)16-14(21)17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9H2,(H,16,21)