1-[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]sulfonyl-3-pentyl-urea

Systemtic Name: 1-[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]sulfonyl-3-pentyl-urea Openeye Name: 1-[5-nitro-2-(p-tolylsulfanyl)phenyl]sulfonyl-3-pentyl-urea CAS Name: 1-[2-[(4-methylphenyl)thio]-5-nitrophenyl]sulfonyl-3-pentylurea IUPAC Name: 1-[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-3-pentylurea Traditional Name: 1-amyl-3-[5-nitro-2-(p-tolylthio)phenyl]sulfonyl-urea Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S2/c1-3-4-5-12-20-19(23)21-29(26,27)18-13-15(22(24)25)8-11-17(18)28-16-9-6-14(2)7-10-16/h6-11,13H,3-5,12H2,1-2H3,(H2,20,21,23)