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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCCCCOC2=CC=CC=C2C)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCCCCOC2=CC=CC=C2C)C#N

InChI

InChI=1S/C18H21N3O2S/c1-3-15-14(12-19)17(22)21-18(20-15)24-11-7-6-10-23-16-9-5-4-8-13(16)2/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,20,21,22)