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

Systemtic Name: 6-oxidanylidene-4-phenyl-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 1-benzyl-2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidine-5-carbonitrile CAS Name: 6-oxo-4-phenyl-1-(phenylmethyl)-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 1-benzyl-2-benzylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile Traditional Name: 1-benzyl-2-(benzylthio)-6-keto-4-phenyl-pyrimidine-5-carbonitrile Formula: C25H19N3OS MolecularWeight: 409.50286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H19N3OS/c26-16-22-23(21-14-8-3-9-15-21)27-25(30-18-20-12-6-2-7-13-20)28(24(22)29)17-19-10-4-1-5-11-19/h1-15H,17-18H2