5-(3-ethoxy-4-methoxy-phenyl)-4-methyl-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine

Systemtic Name: 5-(3-ethoxy-4-methoxy-phenyl)-4-methyl-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-(3-ethoxy-4-methoxy-phenyl)-4-methyl-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-(3-ethoxy-4-methoxyphenyl)-4-methyl-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-(3-ethoxy-4-methoxyphenyl)-4-methyl-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-(3-ethoxy-4-methoxy-phenyl)-4-methyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C)OC

InChI

InChI=1S/C18H20N3O2S/c1-4-23-16-12-13(10-11-15(16)22-3)17-21(2)20-18(24-17)19-14-8-6-5-7-9-14/h5-12H,4H2,1-3H3,(H,19,20)/q+1