6-[(E)-2-(5-ethyl-2,4-dimethoxy-phenyl)ethenyl]-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Systemtic Name: 6-[(E)-2-(5-ethyl-2,4-dimethoxy-phenyl)ethenyl]-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Openeye Name: 3-benzyl-6-[(E)-2-(5-ethyl-2,4-dimethoxy-phenyl)vinyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole CAS Name: 6-[(E)-2-(5-ethyl-2,4-dimethoxyphenyl)ethenyl]-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole IUPAC Name: 3-benzyl-6-[(E)-2-(5-ethyl-2,4-dimethoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Traditional Name: 3-benzyl-6-[(E)-2-(5-ethyl-2,4-dimethoxy-phenyl)vinyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C=CC2=NN3C(=NN=C3S2)CC4=CC=CC=C4)OC)OC

Isomeric SMILES

CCC1=C(C=C(C(=C1)/C=C/C2=NN3C(=NN=C3S2)CC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C22H22N4O2S/c1-4-16-13-17(19(28-3)14-18(16)27-2)10-11-21-25-26-20(23-24-22(26)29-21)12-15-8-6-5-7-9-15/h5-11,13-14H,4,12H2,1-3H3/b11-10+