3-[[4-(3-ethylsulfanyl-5-methyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[4-(3-ethylsulfanyl-5-methyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(3-ethylsulfanyl-5-methyl-isoxazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-[3-(ethylthio)-5-methyl-4-isoxazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-(3-ethylsulfanyl-5-methyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-[3-(ethylthio)-5-methyl-isoxazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Formula: C17H15N5OS MolecularWeight: 337.3989

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C17H15N5OS/c1-3-24-16-15(11(2)23-22-16)14-7-8-19-17(21-14)20-13-6-4-5-12(9-13)10-18/h4-9H,3H2,1-2H3,(H,19,20,21)