2-pyridin-2-yl-4-thiophen-2-yl-3,4,4a,5,6,7,8,8a-octahydrophthalazin-1-one

Systemtic Name: 2-pyridin-2-yl-4-thiophen-2-yl-3,4,4a,5,6,7,8,8a-octahydrophthalazin-1-one Openeye Name: 2-(2-pyridyl)-4-(2-thienyl)-3,4,4a,5,6,7,8,8a-octahydrophthalazin-1-one CAS Name: 2-(2-pyridinyl)-4-thiophen-2-yl-3,4,4a,5,6,7,8,8a-octahydrophthalazin-1-one IUPAC Name: 2-pyridin-2-yl-4-thiophen-2-yl-3,4,4a,5,6,7,8,8a-octahydrophthalazin-1-one Traditional Name: 2-(2-pyridyl)-4-(2-thienyl)-3,4,4a,5,6,7,8,8a-octahydrophthalazin-1-one Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(NN(C2=O)C3=CC=CC=N3)C4=CC=CS4

Isomeric SMILES

C1CCC2C(C1)C(NN(C2=O)C3=CC=CC=N3)C4=CC=CS4

InChI

InChI=1S/C17H19N3OS/c21-17-13-7-2-1-6-12(13)16(14-8-5-11-22-14)19-20(17)15-9-3-4-10-18-15/h3-5,8-13,16,19H,1-2,6-7H2