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

Systemtic Name: 6-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-ethyl-2-[2-(3-methylphenoxy)ethylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-ethyl-4-keto-2-[2-(3-methylphenoxy)ethylthio]-1H-pyrimidine-5-carbonitrile Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCCOC2=CC=CC(=C2)C)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCCOC2=CC=CC(=C2)C)C#N

InChI

InChI=1S/C16H17N3O2S/c1-3-14-13(10-17)15(20)19-16(18-14)22-8-7-21-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8H2,1-2H3,(H,18,19,20)