N-butyl-3-methyl-5-(4-methyl-3-nitro-phenyl)-4H-1,3,4-thiadiazin-3-ium-2-amine

Systemtic Name: N-butyl-3-methyl-5-(4-methyl-3-nitro-phenyl)-4H-1,3,4-thiadiazin-3-ium-2-amine Openeye Name: N-butyl-3-methyl-5-(4-methyl-3-nitro-phenyl)-4H-1,3,4-thiadiazin-3-ium-2-amine CAS Name: N-butyl-3-methyl-5-(4-methyl-3-nitrophenyl)-4H-1,3,4-thiadiazin-3-ium-2-amine IUPAC Name: N-butyl-3-methyl-5-(4-methyl-3-nitrophenyl)-4H-1,3,4-thiadiazin-3-ium-2-amine Traditional Name: butyl-[3-methyl-5-(4-methyl-3-nitro-phenyl)-4H-1,3,4-thiadiazin-3-ium-2-yl]amine Formula: C15H21N4O2S+ MolecularWeight: 321.41784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=[N+](NC(=CS1)C2=CC(=C(C=C2)C)[N+](=O)[O-])C

Isomeric SMILES

CCCCNC1=[N+](NC(=CS1)C2=CC(=C(C=C2)C)[N+](=O)[O-])C

InChI

InChI=1S/C15H20N4O2S/c1-4-5-8-16-15-18(3)17-13(10-22-15)12-7-6-11(2)14(9-12)19(20)21/h6-7,9-10,17H,4-5,8H2,1-3H3/p+1