methyl 3-(5-azanyl-3-phenyl-1,2,4-thiadiazol-2-ium-2-yl)benzoate

Systemtic Name: methyl 3-(5-azanyl-3-phenyl-1,2,4-thiadiazol-2-ium-2-yl)benzoate Openeye Name: methyl 3-(5-amino-3-phenyl-1,2,4-thiadiazol-2-ium-2-yl)benzoate CAS Name: 3-(5-amino-3-phenyl-1,2,4-thiadiazol-2-ium-2-yl)benzoic acid methyl ester IUPAC Name: methyl 3-(5-amino-3-phenyl-1,2,4-thiadiazol-2-ium-2-yl)benzoate Traditional Name: 3-(5-amino-3-phenyl-1,2,4-thiadiazol-2-ium-2-yl)benzoic acid methyl ester Formula: C16H14N3O2S+ MolecularWeight: 312.36626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)[N+]2=C(N=C(S2)N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)[N+]2=C(N=C(S2)N)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O2S/c1-21-15(20)12-8-5-9-13(10-12)19-14(18-16(17)22-19)11-6-3-2-4-7-11/h2-10,17H,1H3/p+1