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

Systemtic Name: 4-[3-methyl-5-(naphthalen-1-ylamino)-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid chloride Openeye Name: 4-[3-methyl-5-(1-naphthylamino)-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid chloride CAS Name: 4-[3-methyl-5-(1-naphthalenylamino)-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid chloride IUPAC Name: 4-[3-methyl-5-(naphthalen-1-ylamino)-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid chloride Traditional Name: 4-[3-methyl-5-(1-naphthylamino)-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid chloride Formula: C20H16ClN3O2S MolecularWeight: 397.87794

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O2S.ClH/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);1H