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

Systemtic Name: [4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrrol-2-yl] thiocyanate Openeye Name: [4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrrol-2-yl] ester IUPAC Name: [4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [4-(4-fluorophenyl)-5-(4-mesylphenyl)-1H-pyrrol-2-yl] ester Formula: C18H13FN2O2S2 MolecularWeight: 372.436423

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=C(N2)SC#N)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=C(N2)SC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H13FN2O2S2/c1-25(22,23)15-8-4-13(5-9-15)18-16(10-17(21-18)24-11-20)12-2-6-14(19)7-3-12/h2-10,21H,1H3