2-[2-azanyl-5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-3-ium-3-yl]-1-phenyl-ethanone

Systemtic Name: 2-[2-azanyl-5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-3-ium-3-yl]-1-phenyl-ethanone Openeye Name: 2-[2-amino-5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-3-ium-3-yl]-1-phenyl-ethanone CAS Name: 2-[2-amino-5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-3-ium-3-yl]-1-phenylethanone IUPAC Name: 2-[2-amino-5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-3-ium-3-yl]-1-phenylethanone Traditional Name: 2-[2-amino-5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-3-ium-3-yl]-1-phenyl-ethanone Formula: C19H20N3O2S+ MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=N[N+](=C(S2)N)CC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=N[N+](=C(S2)N)CC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C19H19N3O2S/c1-13-8-9-16(10-14(13)2)24-12-18-21-22(19(20)25-18)11-17(23)15-6-4-3-5-7-15/h3-10,20H,11-12H2,1-2H3/p+1