6-ethyl-4-oxidanylidene-2-pentylsulfanyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-ethyl-4-oxidanylidene-2-pentylsulfanyl-1H-pyrimidine-5-carbonitrile Openeye Name: 6-ethyl-4-oxo-2-pentylsulfanyl-1H-pyrimidine-5-carbonitrile CAS Name: 6-ethyl-4-oxo-2-(pentylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-ethyl-4-oxo-2-pentylsulfanyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(amylthio)-6-ethyl-4-keto-1H-pyrimidine-5-carbonitrile Formula: C12H17N3OS MolecularWeight: 251.34788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=C(N1)CC)C#N

Isomeric SMILES

CCCCCSC1=NC(=O)C(=C(N1)CC)C#N

InChI

InChI=1S/C12H17N3OS/c1-3-5-6-7-17-12-14-10(4-2)9(8-13)11(16)15-12/h3-7H2,1-2H3,(H,14,15,16)