[1-[2-[2-bromoethyl-(4-methylphenyl)sulfonyl-amino]phenyl]pyrrol-2-yl] thiocyanate

Systemtic Name: [1-[2-[2-bromoethyl-(4-methylphenyl)sulfonyl-amino]phenyl]pyrrol-2-yl] thiocyanate Openeye Name: [1-[2-[2-bromoethyl(p-tolylsulfonyl)amino]phenyl]pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [1-[2-[2-bromoethyl-(4-methylphenyl)sulfonylamino]phenyl]-2-pyrrolyl] ester IUPAC Name: [1-[2-[2-bromoethyl-(4-methylphenyl)sulfonylamino]phenyl]pyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [1-[2-[2-bromoethyl(tosyl)amino]phenyl]pyrrol-2-yl] ester Formula: C20H18BrN3O2S2 MolecularWeight: 476.40982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCBr)C2=CC=CC=C2N3C=CC=C3SC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCBr)C2=CC=CC=C2N3C=CC=C3SC#N

InChI

InChI=1S/C20H18BrN3O2S2/c1-16-8-10-17(11-9-16)28(25,26)24(14-12-21)19-6-3-2-5-18(19)23-13-4-7-20(23)27-15-22/h2-11,13H,12,14H2,1H3