4-(2,4-dimethylphenyl)sulfanyl-3-nitro-benzaldehyde

Systemtic Name: 4-(2,4-dimethylphenyl)sulfanyl-3-nitro-benzaldehyde Openeye Name: 4-(2,4-dimethylphenyl)sulfanyl-3-nitro-benzaldehyde CAS Name: 4-[(2,4-dimethylphenyl)thio]-3-nitrobenzaldehyde IUPAC Name: 4-(2,4-dimethylphenyl)sulfanyl-3-nitrobenzaldehyde Traditional Name: 4-[(2,4-dimethylphenyl)thio]-3-nitro-benzaldehyde Formula: C15H13NO3S MolecularWeight: 287.33362

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO3S/c1-10-3-5-14(11(2)7-10)20-15-6-4-12(9-17)8-13(15)16(18)19/h3-9H,1-2H3