N-[4-[(E)-2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethenyl]-1,3-thiazol-2-yl]-N-ethyl-ethanamide

Systemtic Name: N-[4-[(E)-2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethenyl]-1,3-thiazol-2-yl]-N-ethyl-ethanamide Openeye Name: N-[4-[(E)-2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)vinyl]thiazol-2-yl]-N-ethyl-acetamide CAS Name: N-[4-[(E)-2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethenyl]-2-thiazolyl]-N-ethylacetamide IUPAC Name: N-[4-[(E)-2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide Traditional Name: N-[4-[(E)-2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)vinyl]thiazol-2-yl]-N-ethyl-acetamide Formula: C17H20N6OS MolecularWeight: 356.4453

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC(=CS1)C=C(C#N)C2=NN=C3N2CCCCC3)C(=O)C

Isomeric SMILES

CCN(C1=NC(=CS1)/C=C(\C#N)/C2=NN=C3N2CCCCC3)C(=O)C

InChI

InChI=1S/C17H20N6OS/c1-3-22(12(2)24)17-19-14(11-25-17)9-13(10-18)16-21-20-15-7-5-4-6-8-23(15)16/h9,11H,3-8H2,1-2H3/b13-9+