2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N)OC1

InChI

InChI=1S/C18H15N5O3S/c19-8-11-6-12(9-20)18(23-17(11)21)27-10-16(24)22-13-2-3-14-15(7-13)26-5-1-4-25-14/h2-3,6-7H,1,4-5,10H2,(H2,21,23)(H,22,24)