dimethyl-[2-[(4-nitrophenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-ylidene]azanium

Systemtic Name: dimethyl-[2-[(4-nitrophenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-ylidene]azanium Openeye Name: dimethyl-[2-[(4-nitrophenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-ylidene]ammonium CAS Name: dimethyl-[2-[(4-nitrophenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-ylidene]ammonium IUPAC Name: dimethyl-[2-[(4-nitrophenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-ylidene]azanium Traditional Name: dimethyl-[2-(4-nitrobenzyl)-3-phenyl-1,2,4-thiadiazol-5-ylidene]ammonium Formula: C17H17N4O2S+ MolecularWeight: 341.40748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1N=C(N(S1)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

C[N+](=C1N=C(N(S1)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C17H17N4O2S/c1-19(2)17-18-16(14-6-4-3-5-7-14)20(24-17)12-13-8-10-15(11-9-13)21(22)23/h3-11H,12H2,1-2H3/q+1