4-oxidanylidene-6-phenyl-2-prop-2-enylsulfanyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-oxidanylidene-6-phenyl-2-prop-2-enylsulfanyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-allylsulfanyl-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-6-phenyl-2-(prop-2-enylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-6-phenyl-2-prop-2-enylsulfanyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(allylthio)-4-keto-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C14H11N3OS MolecularWeight: 269.32164

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

Isomeric SMILES

C=CCSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C14H11N3OS/c1-2-8-19-14-16-12(10-6-4-3-5-7-10)11(9-15)13(18)17-14/h2-7H,1,8H2,(H,16,17,18)