6-ethyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-ethyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-ethyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-benzylsulfanyl-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-6-ethyl-4-keto-1H-pyrimidine-5-carbonitrile Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)C#N

InChI

InChI=1S/C14H13N3OS/c1-2-12-11(8-15)13(18)17-14(16-12)19-9-10-6-4-3-5-7-10/h3-7H,2,9H2,1H3,(H,16,17,18)