3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-one

Systemtic Name: 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-one Openeye Name: 3-[3-(p-tolyl)-1H-pyrazol-5-yl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-one CAS Name: 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-one IUPAC Name: 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-one Traditional Name: 3-[3-(p-tolyl)-1H-pyrazol-5-yl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-one Formula: C13H10N6OS MolecularWeight: 298.3231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C4N3NC(=O)S4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C4N3NC(=O)S4

InChI

InChI=1S/C13H10N6OS/c1-7-2-4-8(5-3-7)9-6-10(15-14-9)11-16-17-12-19(11)18-13(20)21-12/h2-6H,1H3,(H,14,15)(H,18,20)