N-tert-butyl-2-methyl-2-nitrososulfanyl-propan-1-amine; 2-[2-[(2-chloranyl-6-fluoranyl-phenyl)amino]-5-methyl-phenyl]ethanoic acid

Systemtic Name: N-tert-butyl-2-methyl-2-nitrososulfanyl-propan-1-amine; 2-[2-[(2-chloranyl-6-fluoranyl-phenyl)amino]-5-methyl-phenyl]ethanoic acid Openeye Name: N-tert-butyl-2-methyl-2-nitrososulfanyl-propan-1-amine; 2-[2-(2-chloro-6-fluoro-anilino)-5-methyl-phenyl]acetic acid CAS Name: 1-(tert-butylamino)-2-methyl-N-oxo-2-propanesulfenamide; 2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid IUPAC Name: N-tert-butyl-2-methyl-2-nitrososulfanylpropan-1-amine; 2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid Traditional Name: tert-butyl-[2-methyl-2-(nitrosothio)propyl]amine; 2-[2-(2-chloro-6-fluoro-anilino)-5-methyl-phenyl]acetic acid Formula: C23H31ClFN3O3S MolecularWeight: 484.026943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C=CC=C2Cl)F)CC(=O)O.CC(C)(C)NCC(C)(C)SN=O

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C=CC=C2Cl)F)CC(=O)O.CC(C)(C)NCC(C)(C)SN=O

InChI

InChI=1S/C15H13ClFNO2.C8H18N2OS/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17;1-7(2,3)9-6-8(4,5)12-10-11/h2-7,18H,8H2,1H3,(H,19,20);9H,6H2,1-5H3