5-[(E)-2-(3-nitrophenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine

Systemtic Name: 5-[(E)-2-(3-nitrophenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-[(E)-2-(3-nitrophenyl)vinyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-[(E)-2-(3-nitrophenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-[(E)-2-(3-nitrophenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-[(E)-2-(3-nitrophenyl)vinyl]-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine Formula: C22H17N4O2S+ MolecularWeight: 401.46098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=N[N+](=C(S2)C=CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC2=N[N+](=C(S2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H17N4O2S/c27-26(28)20-13-7-8-17(16-20)14-15-21-25(19-11-5-2-6-12-19)24-22(29-21)23-18-9-3-1-4-10-18/h1-16H,(H,23,24)/q+1/b15-14+