3-methyl-5-(phenylmethylsulfanyl)imidazole-4-carbaldehyde

Systemtic Name: 3-methyl-5-(phenylmethylsulfanyl)imidazole-4-carbaldehyde Openeye Name: 5-benzylsulfanyl-3-methyl-imidazole-4-carbaldehyde CAS Name: 3-methyl-5-(phenylmethylthio)-4-imidazolecarboxaldehyde IUPAC Name: 5-benzylsulfanyl-3-methylimidazole-4-carbaldehyde Traditional Name: 5-(benzylthio)-3-methyl-imidazole-4-carbaldehyde Formula: C12H12N2OS MolecularWeight: 232.30148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1C=O)SCC2=CC=CC=C2

Isomeric SMILES

CN1C=NC(=C1C=O)SCC2=CC=CC=C2

InChI

InChI=1S/C12H12N2OS/c1-14-9-13-12(11(14)7-15)16-8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3