6-(4-methylphenyl)-3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Systemtic Name: 6-(4-methylphenyl)-3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Openeye Name: 3-[(E)-2-(5-nitro-2-furyl)vinyl]-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole CAS Name: 6-(4-methylphenyl)-3-[(E)-2-(5-nitro-2-furanyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole IUPAC Name: 6-(4-methylphenyl)-3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Traditional Name: 3-[(E)-2-(5-nitro-2-furyl)vinyl]-6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Formula: C16H11N5O3S MolecularWeight: 353.35524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN3C(=NN=C3S2)/C=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O3S/c1-10-2-4-11(5-3-10)15-19-20-13(17-18-16(20)25-15)8-6-12-7-9-14(24-12)21(22)23/h2-9H,1H3/b8-6+