3-[[bis(2-ethylsulfanylethyl)amino]methyl]-5-nitro-2-sulfanyl-benzaldehyde

Systemtic Name: 3-[[bis(2-ethylsulfanylethyl)amino]methyl]-5-nitro-2-sulfanyl-benzaldehyde Openeye Name: 3-[[bis(2-ethylsulfanylethyl)amino]methyl]-5-nitro-2-sulfanyl-benzaldehyde CAS Name: 3-[[bis[2-(ethylthio)ethyl]amino]methyl]-2-mercapto-5-nitrobenzaldehyde IUPAC Name: 3-[[bis(2-ethylsulfanylethyl)amino]methyl]-5-nitro-2-sulfanylbenzaldehyde Traditional Name: 3-[[bis[2-(ethylthio)ethyl]amino]methyl]-2-mercapto-5-nitro-benzaldehyde Formula: C16H24N2O3S3 MolecularWeight: 388.56836

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN(CCSCC)CC1=C(C(=CC(=C1)[N+](=O)[O-])C=O)S

Isomeric SMILES

CCSCCN(CCSCC)CC1=C(C(=CC(=C1)[N+](=O)[O-])C=O)S

InChI

InChI=1S/C16H24N2O3S3/c1-3-23-7-5-17(6-8-24-4-2)11-13-9-15(18(20)21)10-14(12-19)16(13)22/h9-10,12,22H,3-8,11H2,1-2H3