3-(4-methylphenyl)-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Systemtic Name: 3-(4-methylphenyl)-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Openeye Name: 6-(4-nitrophenyl)-3-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole CAS Name: 3-(4-methylphenyl)-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole IUPAC Name: 3-(4-methylphenyl)-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Traditional Name: 6-(4-nitrophenyl)-3-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Formula: C16H11N5O2S MolecularWeight: 337.35584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O2S/c1-10-2-4-11(5-3-10)14-17-18-16-20(14)19-15(24-16)12-6-8-13(9-7-12)21(22)23/h2-9H,1H3