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

Systemtic Name: 4-oxidanylidene-6-(phenylmethyl)-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 6-benzyl-2-benzylsulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-6-(phenylmethyl)-2-(phenylmethylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-benzyl-2-benzylsulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-benzyl-2-(benzylthio)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C19H15N3OS MolecularWeight: 333.4069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=O)N=C(N2)SCC3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=O)N=C(N2)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H15N3OS/c20-12-16-17(11-14-7-3-1-4-8-14)21-19(22-18(16)23)24-13-15-9-5-2-6-10-15/h1-10H,11,13H2,(H,21,22,23)