N,N-dibutyl-5-(4-chloranyl-3-nitro-phenyl)imino-1,2,3-dithiazol-4-amine

Systemtic Name: N,N-dibutyl-5-(4-chloranyl-3-nitro-phenyl)imino-1,2,3-dithiazol-4-amine Openeye Name: N,N-dibutyl-5-(4-chloro-3-nitro-phenyl)imino-dithiazol-4-amine CAS Name: N,N-dibutyl-5-(4-chloro-3-nitrophenyl)imino-4-dithiazolamine IUPAC Name: N,N-dibutyl-5-(4-chloro-3-nitrophenyl)iminodithiazol-4-amine Traditional Name: dibutyl-[5-(4-chloro-3-nitro-phenyl)iminodithiazol-4-yl]amine Formula: C16H21ClN4O2S2 MolecularWeight: 400.94654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=NSSC1=NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC)C1=NSSC1=NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H21ClN4O2S2/c1-3-5-9-20(10-6-4-2)15-16(24-25-19-15)18-12-7-8-13(17)14(11-12)21(22)23/h7-8,11H,3-6,9-10H2,1-2H3