3-(benzotriazol-1-ylmethyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Systemtic Name: 3-(benzotriazol-1-ylmethyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Openeye Name: 3-(benzotriazol-1-ylmethyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole CAS Name: 3-(1-benzotriazolylmethyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole IUPAC Name: 3-(benzotriazol-1-ylmethyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Traditional Name: 3-(benzotriazol-1-ylmethyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Formula: C17H13N7OS MolecularWeight: 363.39642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN3C(=NN=C3S2)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC=CC=C1C2=NN3C(=NN=C3S2)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C17H13N7OS/c1-25-14-9-5-2-6-11(14)16-21-24-15(19-20-17(24)26-16)10-23-13-8-4-3-7-12(13)18-22-23/h2-9H,10H2,1H3