6-ethyl-2-[4-(4-methylphenoxy)butylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-ethyl-2-[4-(4-methylphenoxy)butylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-ethyl-2-[4-(4-methylphenoxy)butylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-ethyl-2-[4-(4-methylphenoxy)butylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-ethyl-2-[4-(4-methylphenoxy)butylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-ethyl-4-keto-2-[4-(4-methylphenoxy)butylthio]-1H-pyrimidine-5-carbonitrile Formula: C18H21N3O2S MolecularWeight: 343.44324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCCCCOC2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCCCCOC2=CC=C(C=C2)C)C#N

InChI

InChI=1S/C18H21N3O2S/c1-3-16-15(12-19)17(22)21-18(20-16)24-11-5-4-10-23-14-8-6-13(2)7-9-14/h6-9H,3-5,10-11H2,1-2H3,(H,20,21,22)