N-(1,3-benzodioxol-5-ylmethyl)-5-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-6H-1,3,4-thiadiazin-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-6H-1,3,4-thiadiazin-2-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]-6H-1,3,4-thiadiazin-2-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]-6H-1,3,4-thiadiazin-2-amine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-6H-1,3,4-thiadiazin-2-amine Traditional Name: [5-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]-6H-1,3,4-thiadiazin-2-yl]-piperonyl-amine Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C3=NN=C(SC3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C3=NN=C(SC3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N5O2S/c1-14-9-17(15(2)27(14)21-5-3-4-8-23-21)18-12-30-22(26-25-18)24-11-16-6-7-19-20(10-16)29-13-28-19/h3-10H,11-13H2,1-2H3,(H,24,26)