2-(2-ethylsulfanylphenyl)-6-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(2-ethylsulfanylphenyl)-6-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(2-ethylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[2-(ethylthio)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(2-ethylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[2-(ethylthio)phenyl]-6-keto-1H-pyrimidine-5-carbonitrile Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C2=NC=C(C(=O)N2)C#N

Isomeric SMILES

CCSC1=CC=CC=C1C2=NC=C(C(=O)N2)C#N

InChI

InChI=1S/C13H11N3OS/c1-2-18-11-6-4-3-5-10(11)12-15-8-9(7-14)13(17)16-12/h3-6,8H,2H2,1H3,(H,15,16,17)