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

Systemtic Name: [1-[2-[(4-methylphenyl)sulfonyl-prop-2-enoyl-amino]phenyl]pyrrol-2-yl] thiocyanate Openeye Name: [1-[2-[prop-2-enoyl(p-tolylsulfonyl)amino]phenyl]pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [1-[2-[(4-methylphenyl)sulfonyl-(1-oxoprop-2-enyl)amino]phenyl]-2-pyrrolyl] ester IUPAC Name: [1-[2-[(4-methylphenyl)sulfonyl-prop-2-enoylamino]phenyl]pyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [1-[2-[acryloyl(tosyl)amino]phenyl]pyrrol-2-yl] ester Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S2/c1-3-20(25)24(29(26,27)17-12-10-16(2)11-13-17)19-8-5-4-7-18(19)23-14-6-9-21(23)28-15-22/h3-14H,1H2,2H3