6-(3-methoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Systemtic Name: 6-(3-methoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Openeye Name: 6-(3-methoxyphenyl)-3-[5-methyl-1-(p-tolyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole CAS Name: 6-(3-methoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)-4-triazolyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole IUPAC Name: 6-(3-methoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Traditional Name: 6-(3-methoxyphenyl)-3-[5-methyl-1-(p-tolyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Formula: C20H17N7OS MolecularWeight: 403.46028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(N=N2)C3=NN=C4N3N=C(S4)C5=CC(=CC=C5)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(N=N2)C3=NN=C4N3N=C(S4)C5=CC(=CC=C5)OC)C

InChI

InChI=1S/C20H17N7OS/c1-12-7-9-15(10-8-12)26-13(2)17(21-25-26)18-22-23-20-27(18)24-19(29-20)14-5-4-6-16(11-14)28-3/h4-11H,1-3H3