2-(6-azanyl-3,5-dicyano-4-methyl-pyridin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-methyl-pyridin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)ethanamide Openeye Name: 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridyl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)thio]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-methylpyridin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridyl)thio]-N-piperonyl-acetamide Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1C#N)SCC(=O)NCC2=CC3=C(C=C2)OCO3)N)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1C#N)SCC(=O)NCC2=CC3=C(C=C2)OCO3)N)C#N

InChI

InChI=1S/C18H15N5O3S/c1-10-12(5-19)17(21)23-18(13(10)6-20)27-8-16(24)22-7-11-2-3-14-15(4-11)26-9-25-14/h2-4H,7-9H2,1H3,(H2,21,23)(H,22,24)