3-[pyridin-3-ylmethyl-[[5-(2-pyridin-2-ylquinolin-4-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]amino]propanenitrile

Systemtic Name: 3-[pyridin-3-ylmethyl-[[5-(2-pyridin-2-ylquinolin-4-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]amino]propanenitrile Openeye Name: 3-[3-pyridylmethyl-[[5-[2-(2-pyridyl)-4-quinolyl]-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]amino]propanenitrile CAS Name: 3-[3-pyridinylmethyl-[[5-[2-(2-pyridinyl)-4-quinolinyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]amino]propanenitrile IUPAC Name: 3-[pyridin-3-ylmethyl-[[5-(2-pyridin-2-ylquinolin-4-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]amino]propanenitrile Traditional Name: 3-[3-pyridylmethyl-[[5-[2-(2-pyridyl)-4-quinolyl]-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]amino]propionitrile Formula: C26H21N7OS MolecularWeight: 479.55624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C4=NN(C(=S)O4)CN(CCC#N)CC5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C4=NN(C(=S)O4)CN(CCC#N)CC5=CN=CC=C5

InChI

InChI=1S/C26H21N7OS/c27-11-6-14-32(17-19-7-5-12-28-16-19)18-33-26(35)34-25(31-33)21-15-24(23-10-3-4-13-29-23)30-22-9-2-1-8-20(21)22/h1-5,7-10,12-13,15-16H,6,14,17-18H2