3-[[4-(5-ethyl-3-methylsulfanyl-1,2-oxazol-4-yl)pyridin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[4-(5-ethyl-3-methylsulfanyl-1,2-oxazol-4-yl)pyridin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(5-ethyl-3-methylsulfanyl-isoxazol-4-yl)-2-pyridyl]amino]benzonitrile CAS Name: 3-[[4-[5-ethyl-3-(methylthio)-4-isoxazolyl]-2-pyridinyl]amino]benzonitrile IUPAC Name: 3-[[4-(5-ethyl-3-methylsulfanyl-1,2-oxazol-4-yl)pyridin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-[5-ethyl-3-(methylthio)isoxazol-4-yl]-2-pyridyl]amino]benzonitrile Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NO1)SC)C2=CC(=NC=C2)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CCC1=C(C(=NO1)SC)C2=CC(=NC=C2)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H16N4OS/c1-3-15-17(18(24-2)22-23-15)13-7-8-20-16(10-13)21-14-6-4-5-12(9-14)11-19/h4-10H,3H2,1-2H3,(H,20,21)