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

Systemtic Name: 6-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Openeye Name: 3-benzyl-6-[5-methyl-1-(p-tolyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole CAS Name: 6-[5-methyl-1-(4-methylphenyl)-4-triazolyl]-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole IUPAC Name: 3-benzyl-6-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Traditional Name: 3-benzyl-6-[5-methyl-1-(p-tolyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Formula: C20H17N7S MolecularWeight: 387.46088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(N=N2)C3=NN4C(=NN=C4S3)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(N=N2)C3=NN4C(=NN=C4S3)CC5=CC=CC=C5)C

InChI

InChI=1S/C20H17N7S/c1-13-8-10-16(11-9-13)26-14(2)18(22-25-26)19-24-27-17(21-23-20(27)28-19)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3