4-methyl-5-(4-nitrophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine

Systemtic Name: 4-methyl-5-(4-nitrophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 4-methyl-5-(4-nitrophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 4-methyl-5-(4-nitrophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 4-methyl-5-(4-nitrophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [4-methyl-5-(4-nitrophenyl)-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine Formula: C15H13N4O2S+ MolecularWeight: 313.35432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC(=N1)NC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=C(SC(=N1)NC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N4O2S/c1-18-14(11-7-9-13(10-8-11)19(20)21)22-15(17-18)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17)/q+1