2-(phenylmethylsulfanyl)pyrimidine-4-carbaldehyde

Systemtic Name: 2-(phenylmethylsulfanyl)pyrimidine-4-carbaldehyde Openeye Name: 2-benzylsulfanylpyrimidine-4-carbaldehyde CAS Name: 2-(phenylmethylthio)-4-pyrimidinecarboxaldehyde IUPAC Name: 2-benzylsulfanylpyrimidine-4-carbaldehyde Traditional Name: 2-(benzylthio)pyrimidine-4-carbaldehyde Formula: C12H10N2OS MolecularWeight: 230.2856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=CC(=N2)C=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=CC(=N2)C=O

InChI

InChI=1S/C12H10N2OS/c15-8-11-6-7-13-12(14-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2