4-[5-[(4-ethylphenyl)amino]-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid

Systemtic Name: 4-[5-[(4-ethylphenyl)amino]-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid Openeye Name: 4-[5-(4-ethylanilino)-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid CAS Name: 4-[5-(4-ethylanilino)-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid IUPAC Name: 4-[5-(4-ethylanilino)-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid Traditional Name: 4-[5-(4-ethylanilino)-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid Formula: C23H20N3O2S+ MolecularWeight: 402.4888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O2S/c1-2-16-8-14-19(15-9-16)24-23-25-26(20-6-4-3-5-7-20)21(29-23)17-10-12-18(13-11-17)22(27)28/h3-15H,2H2,1H3,(H-,24,25,27,28)/p+1