N-(4-ethylphenyl)-4-phenyl-5-(4-phenylmethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine

Systemtic Name: N-(4-ethylphenyl)-4-phenyl-5-(4-phenylmethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-(4-benzyloxyphenyl)-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: N-(4-ethylphenyl)-4-phenyl-5-(4-phenylmethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: N-(4-ethylphenyl)-4-phenyl-5-(4-phenylmethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-(4-benzoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-(4-ethylphenyl)amine Formula: C29H26N3OS+ MolecularWeight: 464.60124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H26N3OS/c1-2-22-13-17-25(18-14-22)30-29-31-32(26-11-7-4-8-12-26)28(34-29)24-15-19-27(20-16-24)33-21-23-9-5-3-6-10-23/h3-20H,2,21H2,1H3,(H,30,31)/q+1