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

Systemtic Name: 2-[4-(4-chloranylphenoxy)butylsulfanyl]-6-ethyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[4-(4-chlorophenoxy)butylsulfanyl]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[4-(4-chlorophenoxy)butylthio]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[4-(4-chlorophenoxy)butylsulfanyl]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[4-(4-chlorophenoxy)butylthio]-6-ethyl-4-keto-1H-pyrimidine-5-carbonitrile Formula: C17H18ClN3O2S MolecularWeight: 363.86172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O2S/c1-2-15-14(11-19)16(22)21-17(20-15)24-10-4-3-9-23-13-7-5-12(18)6-8-13/h5-8H,2-4,9-10H2,1H3,(H,20,21,22)