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

Systemtic Name: 2-[2-azanyl-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-phenyl-ethanone Openeye Name: 2-[2-amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-phenyl-ethanone CAS Name: 2-[2-amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-phenylethanone IUPAC Name: 2-[2-amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-phenylethanone Traditional Name: 2-[2-amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-phenyl-ethanone Formula: C18H18N3O3S+ MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=N[N+](=C(S2)N)CC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=N[N+](=C(S2)N)CC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C18H17N3O3S/c1-23-15-9-8-13(10-16(15)24-2)17-20-21(18(19)25-17)11-14(22)12-6-4-3-5-7-12/h3-10,19H,11H2,1-2H3/p+1