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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-(1,3-benzodioxol-5-yl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-(1,3-benzodioxol-5-yl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-(1,3-benzodioxol-5-yl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine Formula: C21H16N3O2S+ MolecularWeight: 374.43564

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N3O2S/c1-3-7-16(8-4-1)22-21-23-24(17-9-5-2-6-10-17)20(27-21)15-11-12-18-19(13-15)26-14-25-18/h1-13H,14H2,(H,22,23)/q+1