2-[(2-methylphenyl)methylsulfanyl]-5-nitro-benzaldehyde

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-5-nitro-benzaldehyde Openeye Name: 5-nitro-2-(o-tolylmethylsulfanyl)benzaldehyde CAS Name: 2-[(2-methylphenyl)methylthio]-5-nitrobenzaldehyde IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-5-nitrobenzaldehyde Traditional Name: 2-[(2-methylbenzyl)thio]-5-nitro-benzaldehyde Formula: C15H13NO3S MolecularWeight: 287.33362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=C(C=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

CC1=CC=CC=C1CSC2=C(C=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C15H13NO3S/c1-11-4-2-3-5-12(11)10-20-15-7-6-14(16(18)19)8-13(15)9-17/h2-9H,10H2,1H3