3-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]sulfanyl]-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: 3-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]-N-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]thio]-N-(1,3-benzodioxol-5-yl)propionamide Formula: C21H15N5O3S2 MolecularWeight: 449.5055

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CC=CS4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CC=CS4)C#N

InChI

InChI=1S/C21H15N5O3S2/c22-9-13-19(17-2-1-6-30-17)14(10-23)21(26-20(13)24)31-7-5-18(27)25-12-3-4-15-16(8-12)29-11-28-15/h1-4,6,8H,5,7,11H2,(H2,24,26)(H,25,27)