4-methyl-2-(4-nitrophenyl)-1,2,3-thiadiazol-2-ium-5-carboxamide thiocyanate

Systemtic Name: 4-methyl-2-(4-nitrophenyl)-1,2,3-thiadiazol-2-ium-5-carboxamide thiocyanate Openeye Name: 4-methyl-2-(4-nitrophenyl)thiadiazol-2-ium-5-carboxamide thiocyanate CAS Name: 4-methyl-2-(4-nitrophenyl)-5-thiadiazol-2-iumcarboxamide thiocyanate IUPAC Name: 4-methyl-2-(4-nitrophenyl)thiadiazol-2-ium-5-carboxamide thiocyanate Traditional Name: 4-methyl-2-(4-nitrophenyl)thiadiazol-2-ium-5-carboxamide thiocyanate Formula: C11H9N5O3S2 MolecularWeight: 323.35086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(S[N+](=N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N.C(#N)[S-]

Isomeric SMILES

CC1=C(S[N+](=N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N.C(#N)[S-]

InChI

InChI=1S/C10H8N4O3S.CHNS/c1-6-9(10(11)15)18-13(12-6)7-2-4-8(5-3-7)14(16)17;2-1-3/h2-5H,1H3,(H-,11,15);3H