[4-(4-fluorophenyl)-1-methyl-5-(4-methylsulfonylphenyl)pyrrol-2-yl] thiocyanate

Systemtic Name: [4-(4-fluorophenyl)-1-methyl-5-(4-methylsulfonylphenyl)pyrrol-2-yl] thiocyanate Openeye Name: [4-(4-fluorophenyl)-1-methyl-5-(4-methylsulfonylphenyl)pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [4-(4-fluorophenyl)-1-methyl-5-(4-methylsulfonylphenyl)-2-pyrrolyl] ester IUPAC Name: [4-(4-fluorophenyl)-1-methyl-5-(4-methylsulfonylphenyl)pyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [4-(4-fluorophenyl)-5-(4-mesylphenyl)-1-methyl-pyrrol-2-yl] ester Formula: C19H15FN2O2S2 MolecularWeight: 386.463003

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)SC#N

Isomeric SMILES

CN1C(=CC(=C1C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)SC#N

InChI

InChI=1S/C19H15FN2O2S2/c1-22-18(25-12-21)11-17(13-3-7-15(20)8-4-13)19(22)14-5-9-16(10-6-14)26(2,23)24/h3-11H,1-2H3