[2-[(4-nitrophenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-ylidene]-diphenyl-azanium

Systemtic Name: [2-[(4-nitrophenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-ylidene]-diphenyl-azanium Openeye Name: [2-[(4-nitrophenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-ylidene]-diphenyl-ammonium CAS Name: [2-[(4-nitrophenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-ylidene]-diphenylammonium IUPAC Name: [2-[(4-nitrophenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-ylidene]-diphenylazanium Traditional Name: [2-(4-nitrobenzyl)-3-phenyl-1,2,4-thiadiazol-5-ylidene]-diphenyl-ammonium Formula: C27H21N4O2S+ MolecularWeight: 465.54624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=[N+](C3=CC=CC=C3)C4=CC=CC=C4)SN2CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=[N+](C3=CC=CC=C3)C4=CC=CC=C4)SN2CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H21N4O2S/c32-31(33)25-18-16-21(17-19-25)20-29-26(22-10-4-1-5-11-22)28-27(34-29)30(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H,20H2/q+1