[1-[2-[3-chloranylpropyl-(4-methylphenyl)sulfonyl-amino]phenyl]pyrrol-2-yl] thiocyanate

Systemtic Name: [1-[2-[3-chloranylpropyl-(4-methylphenyl)sulfonyl-amino]phenyl]pyrrol-2-yl] thiocyanate Openeye Name: [1-[2-[3-chloropropyl(p-tolylsulfonyl)amino]phenyl]pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [1-[2-[3-chloropropyl-(4-methylphenyl)sulfonylamino]phenyl]-2-pyrrolyl] ester IUPAC Name: [1-[2-[3-chloropropyl-(4-methylphenyl)sulfonylamino]phenyl]pyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [1-[2-[3-chloropropyl(tosyl)amino]phenyl]pyrrol-2-yl] ester Formula: C21H20ClN3O2S2 MolecularWeight: 445.9854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O2S2/c1-17-9-11-18(12-10-17)29(26,27)25(15-5-13-22)20-7-3-2-6-19(20)24-14-4-8-21(24)28-16-23/h2-4,6-12,14H,5,13,15H2,1H3