6-ethyl-2-[3-(4-methylphenoxy)propylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-ethyl-2-[3-(4-methylphenoxy)propylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-ethyl-2-[3-(4-methylphenoxy)propylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-ethyl-2-[3-(4-methylphenoxy)propylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-ethyl-2-[3-(4-methylphenoxy)propylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-ethyl-4-keto-2-[3-(4-methylphenoxy)propylthio]-1H-pyrimidine-5-carbonitrile Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCCCOC2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCCCOC2=CC=C(C=C2)C)C#N

InChI

InChI=1S/C17H19N3O2S/c1-3-15-14(11-18)16(21)20-17(19-15)23-10-4-9-22-13-7-5-12(2)6-8-13/h5-8H,3-4,9-10H2,1-2H3,(H,19,20,21)