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

Systemtic Name: 5-[4-(6-nitro-1,3-benzodioxol-5-yl)butyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-[4-(6-nitro-1,3-benzodioxol-5-yl)butyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-[4-(6-nitro-1,3-benzodioxol-5-yl)butyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-[4-(6-nitro-1,3-benzodioxol-5-yl)butyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-[4-(6-nitro-1,3-benzodioxol-5-yl)butyl]-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine Formula: C25H23N4O4S+ MolecularWeight: 475.53952

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CCCCC3=[N+](N=C(S3)NC4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CCCCC3=[N+](N=C(S3)NC4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N4O4S/c30-29(31)21-16-23-22(32-17-33-23)15-18(21)9-7-8-14-24-28(20-12-5-2-6-13-20)27-25(34-24)26-19-10-3-1-4-11-19/h1-6,10-13,15-16H,7-9,14,17H2,(H,26,27)/q+1