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

Systemtic Name: 5-(6-nitro-1,3-benzodioxol-5-yl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-(6-nitro-1,3-benzodioxol-5-yl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-(6-nitro-1,3-benzodioxol-5-yl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-(6-nitro-1,3-benzodioxol-5-yl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-(6-nitro-1,3-benzodioxol-5-yl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine Formula: C21H15N4O4S+ MolecularWeight: 419.4332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N4O4S/c26-25(27)17-12-19-18(28-13-29-19)11-16(17)20-24(15-9-5-2-6-10-15)23-21(30-20)22-14-7-3-1-4-8-14/h1-12H,13H2,(H,22,23)/q+1