N-butyl-5-(3-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine hydrochloride

Systemtic Name: N-butyl-5-(3-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine hydrochloride Openeye Name: N-butyl-5-(3-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine hydrochloride CAS Name: N-butyl-5-(3-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine hydrochloride IUPAC Name: N-butyl-5-(3-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine hydrochloride Traditional Name: butyl-[5-(3-nitrophenyl)-6H-1,3,4-thiadiazin-2-yl]amine hydrochloride Formula: C13H17ClN4O2S MolecularWeight: 328.81768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(CS1)C2=CC(=CC=C2)[N+](=O)[O-].Cl

Isomeric SMILES

CCCCNC1=NN=C(CS1)C2=CC(=CC=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H16N4O2S.ClH/c1-2-3-7-14-13-16-15-12(9-20-13)10-5-4-6-11(8-10)17(18)19;/h4-6,8H,2-3,7,9H2,1H3,(H,14,16);1H