4-(4-methylphenyl)sulfanyl-3-nitro-benzaldehyde

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-nitro-benzaldehyde Openeye Name: 3-nitro-4-(p-tolylsulfanyl)benzaldehyde CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzaldehyde IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-nitrobenzaldehyde Traditional Name: 3-nitro-4-(p-tolylthio)benzaldehyde Formula: C14H11NO3S MolecularWeight: 273.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO3S/c1-10-2-5-12(6-3-10)19-14-7-4-11(9-16)8-13(14)15(17)18/h2-9H,1H3