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

Systemtic Name: 6-(furan-2-yl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(2-furyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(2-furanyl)-4-oxo-2-(phenylmethylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-benzylsulfanyl-6-(furan-2-yl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-6-(2-furyl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C16H11N3O2S MolecularWeight: 309.34244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CC=CO3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CC=CO3)C#N

InChI

InChI=1S/C16H11N3O2S/c17-9-12-14(13-7-4-8-21-13)18-16(19-15(12)20)22-10-11-5-2-1-3-6-11/h1-8H,10H2,(H,18,19,20)