4-[3-methyl-5-(naphthalen-1-ylamino)-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid

Systemtic Name: 4-[3-methyl-5-(naphthalen-1-ylamino)-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid Openeye Name: 4-[3-methyl-5-(1-naphthylamino)-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid CAS Name: 4-[3-methyl-5-(1-naphthalenylamino)-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid IUPAC Name: 4-[3-methyl-5-(naphthalen-1-ylamino)-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid Traditional Name: 4-[3-methyl-5-(1-naphthylamino)-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid Formula: C20H16N3O2S+ MolecularWeight: 362.42494

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC(=N1)NC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C[N+]1=C(SC(=N1)NC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H15N3O2S/c1-23-18(14-9-11-15(12-10-14)19(24)25)26-20(22-23)21-17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3,(H-,21,22,24,25)/p+1