4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyridin-3-yl-1,3-thiazole

Systemtic Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyridin-3-yl-1,3-thiazole Openeye Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-pyridyl)thiazole CAS Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(3-pyridinyl)thiazole IUPAC Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-3-yl-1,3-thiazole Traditional Name: 4-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-(3-pyridyl)thiazole Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C4=CSC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C4=CSC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C22H19N3O2S/c1-14-8-18(19-12-28-22(24-19)17-4-3-7-23-10-17)15(2)25(14)11-16-5-6-20-21(9-16)27-13-26-20/h3-10,12H,11,13H2,1-2H3