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

Systemtic Name: 4-[[4-(3-ethylsulfanyl-5-methyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]-2-methyl-benzenecarbonitrile Openeye Name: 4-[[4-(3-ethylsulfanyl-5-methyl-isoxazol-4-yl)pyrimidin-2-yl]amino]-2-methyl-benzonitrile CAS Name: 4-[[4-[3-(ethylthio)-5-methyl-4-isoxazolyl]-2-pyrimidinyl]amino]-2-methylbenzonitrile IUPAC Name: 4-[[4-(3-ethylsulfanyl-5-methyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]-2-methylbenzonitrile Traditional Name: 4-[[4-[3-(ethylthio)-5-methyl-isoxazol-4-yl]pyrimidin-2-yl]amino]-2-methyl-benzonitrile Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5OS/c1-4-25-17-16(12(3)24-23-17)15-7-8-20-18(22-15)21-14-6-5-13(10-19)11(2)9-14/h5-9H,4H2,1-3H3,(H,20,21,22)