2-methyl-5-nitro-3-sulfanyl-benzaldehyde

Systemtic Name: 2-methyl-5-nitro-3-sulfanyl-benzaldehyde Openeye Name: 2-methyl-5-nitro-3-sulfanyl-benzaldehyde CAS Name: 3-mercapto-2-methyl-5-nitrobenzaldehyde IUPAC Name: 2-methyl-5-nitro-3-sulfanylbenzaldehyde Traditional Name: 3-mercapto-2-methyl-5-nitro-benzaldehyde Formula: C8H7NO3S MolecularWeight: 197.21108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C=O)[N+](=O)[O-])S

Isomeric SMILES

CC1=C(C=C(C=C1C=O)[N+](=O)[O-])S

InChI

InChI=1S/C8H7NO3S/c1-5-6(4-10)2-7(9(11)12)3-8(5)13/h2-4,13H,1H3