6-methyl-4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-methyl-4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-methyl-4-[[5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-methyl-4-[[5-(5-methyl-3-phenyl-4-isoxazolyl)-1,3,4-oxadiazol-2-yl]methylthio]-2-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-methyl-4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-keto-6-methyl-4-[[5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazol-2-yl]methylthio]-1H-pyrimidine-5-carbonitrile Formula: C19H14N6O3S MolecularWeight: 406.41786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=NN=C(O2)C3=C(ON=C3C4=CC=CC=C4)C)C#N

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=NN=C(O2)C3=C(ON=C3C4=CC=CC=C4)C)C#N

InChI

InChI=1S/C19H14N6O3S/c1-10-13(8-20)18(22-19(26)21-10)29-9-14-23-24-17(27-14)15-11(2)28-25-16(15)12-6-4-3-5-7-12/h3-7H,9H2,1-2H3,(H,21,22,26)