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

Systemtic Name: 1-tert-butyl-3-[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]sulfonyl-urea Openeye Name: 1-tert-butyl-3-[5-nitro-2-(p-tolylsulfanyl)phenyl]sulfonyl-urea CAS Name: 1-tert-butyl-3-[2-[(4-methylphenyl)thio]-5-nitrophenyl]sulfonylurea IUPAC Name: 1-tert-butyl-3-[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]sulfonylurea Traditional Name: 1-tert-butyl-3-[5-nitro-2-(p-tolylthio)phenyl]sulfonyl-urea Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S2/c1-12-5-8-14(9-6-12)27-15-10-7-13(21(23)24)11-16(15)28(25,26)20-17(22)19-18(2,3)4/h5-11H,1-4H3,(H2,19,20,22)