3-azanyl-2-(1,3-benzodioxol-5-ylcarbonyl)-6-methyl-4-thiophen-2-yl-thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 3-azanyl-2-(1,3-benzodioxol-5-ylcarbonyl)-6-methyl-4-thiophen-2-yl-thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 3-amino-2-(1,3-benzodioxole-5-carbonyl)-6-methyl-4-(2-thienyl)thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 3-amino-2-[1,3-benzodioxol-5-yl(oxo)methyl]-6-methyl-4-thiophen-2-yl-5-thieno[2,3-b]pyridinecarbonitrile IUPAC Name: 3-amino-2-(1,3-benzodioxole-5-carbonyl)-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 3-amino-6-methyl-2-piperonyloyl-4-(2-thienyl)thieno[2,3-b]pyridine-5-carbonitrile Formula: C21H13N3O3S2 MolecularWeight: 419.47622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1C#N)C3=CC=CS3)C(=C(S2)C(=O)C4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

CC1=NC2=C(C(=C1C#N)C3=CC=CS3)C(=C(S2)C(=O)C4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C21H13N3O3S2/c1-10-12(8-22)16(15-3-2-6-28-15)17-18(23)20(29-21(17)24-10)19(25)11-4-5-13-14(7-11)27-9-26-13/h2-7H,9,23H2,1H3