4-azanyl-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]pyrimidine-5-carbonitrile Formula: C16H14N6OS MolecularWeight: 338.38696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C16H14N6OS/c1-2-10-3-5-11(6-4-10)15-20-13(23-22-15)9-24-16-19-8-12(7-17)14(18)21-16/h3-6,8H,2,9H2,1H3,(H2,18,19,21)