4-[[[5-(6-ethylpyridin-2-yl)-4-quinoxalin-6-yl-1,3-thiazol-2-yl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[5-(6-ethylpyridin-2-yl)-4-quinoxalin-6-yl-1,3-thiazol-2-yl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[5-(6-ethyl-2-pyridyl)-4-quinoxalin-6-yl-thiazol-2-yl]amino]methyl]benzonitrile CAS Name: 4-[[[5-(6-ethyl-2-pyridinyl)-4-(6-quinoxalinyl)-2-thiazolyl]amino]methyl]benzonitrile IUPAC Name: 4-[[[5-(6-ethylpyridin-2-yl)-4-quinoxalin-6-yl-1,3-thiazol-2-yl]amino]methyl]benzonitrile Traditional Name: 4-[[[5-(6-ethyl-2-pyridyl)-4-quinoxalin-6-yl-thiazol-2-yl]amino]methyl]benzonitrile Formula: C26H20N6S MolecularWeight: 448.5422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=N1)C2=C(N=C(S2)NCC3=CC=C(C=C3)C#N)C4=CC5=NC=CN=C5C=C4

Isomeric SMILES

CCC1=CC=CC(=N1)C2=C(N=C(S2)NCC3=CC=C(C=C3)C#N)C4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C26H20N6S/c1-2-20-4-3-5-22(31-20)25-24(19-10-11-21-23(14-19)29-13-12-28-21)32-26(33-25)30-16-18-8-6-17(15-27)7-9-18/h3-14H,2,16H2,1H3,(H,30,32)