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

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-thiophen-3-yl-pyridin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(3-thiophenyl)-2-pyridinyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-thiophen-3-ylpyridin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C22H17N5O3S2 MolecularWeight: 463.53208

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CSC=C4)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CSC=C4)C#N

InChI

InChI=1S/C22H17N5O3S2/c23-10-15-20(13-3-7-31-12-13)16(11-24)22(27-21(15)25)32-8-4-19(28)26-14-1-2-17-18(9-14)30-6-5-29-17/h1-3,7,9,12H,4-6,8H2,(H2,25,27)(H,26,28)