N-(2-methylcyclohexyl)-5-(3-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine hydrobromide

Systemtic Name: N-(2-methylcyclohexyl)-5-(3-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine hydrobromide Openeye Name: N-(2-methylcyclohexyl)-5-(3-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine hydrobromide CAS Name: N-(2-methylcyclohexyl)-5-(3-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine hydrobromide IUPAC Name: N-(2-methylcyclohexyl)-5-(3-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine hydrobromide Traditional Name: (2-methylcyclohexyl)-[5-(3-nitrophenyl)-6H-1,3,4-thiadiazin-2-yl]amine hydrobromide Formula: C16H21BrN4O2S MolecularWeight: 413.33254

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC2=NN=C(CS2)C3=CC(=CC=C3)[N+](=O)[O-].Br

Isomeric SMILES

CC1CCCCC1NC2=NN=C(CS2)C3=CC(=CC=C3)[N+](=O)[O-].Br

InChI

InChI=1S/C16H20N4O2S.BrH/c1-11-5-2-3-8-14(11)17-16-19-18-15(10-23-16)12-6-4-7-13(9-12)20(21)22;/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,17,19);1H