5-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine

Systemtic Name: 5-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)vinyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)vinyl]-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine Formula: C23H17N4O4S+ MolecularWeight: 445.47048

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC3=[N+](N=C(S3)NC4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C3=[N+](N=C(S3)NC4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H17N4O4S/c28-27(29)19-14-21-20(30-15-31-21)13-16(19)11-12-22-26(18-9-5-2-6-10-18)25-23(32-22)24-17-7-3-1-4-8-17/h1-14H,15H2,(H,24,25)/q+1/b12-11+