2-methyl-4-(1-phenyl-1-sulfanyl-ethyl)benzaldehyde

Systemtic Name: 2-methyl-4-(1-phenyl-1-sulfanyl-ethyl)benzaldehyde Openeye Name: 2-methyl-4-(1-phenyl-1-sulfanyl-ethyl)benzaldehyde CAS Name: 4-(1-mercapto-1-phenylethyl)-2-methylbenzaldehyde IUPAC Name: 2-methyl-4-(1-phenyl-1-sulfanylethyl)benzaldehyde Traditional Name: 4-(1-mercapto-1-phenyl-ethyl)-2-methyl-benzaldehyde Formula: C16H16OS MolecularWeight: 256.36264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C2=CC=CC=C2)S)C=O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C2=CC=CC=C2)S)C=O

InChI

InChI=1S/C16H16OS/c1-12-10-15(9-8-13(12)11-17)16(2,18)14-6-4-3-5-7-14/h3-11,18H,1-2H3