[5-[1-(4-azanyl-2-fluoranyl-phenyl)ethyl]-3-methyl-1H-pyrrol-2-yl]-(4-methylphenyl)methanethione

Systemtic Name: [5-[1-(4-azanyl-2-fluoranyl-phenyl)ethyl]-3-methyl-1H-pyrrol-2-yl]-(4-methylphenyl)methanethione Openeye Name: [5-[1-(4-amino-2-fluoro-phenyl)ethyl]-3-methyl-1H-pyrrol-2-yl]-(p-tolyl)methanethione CAS Name: [5-[1-(4-amino-2-fluorophenyl)ethyl]-3-methyl-1H-pyrrol-2-yl]-(4-methylphenyl)methanethione IUPAC Name: [5-[1-(4-amino-2-fluorophenyl)ethyl]-3-methyl-1H-pyrrol-2-yl]-(4-methylphenyl)methanethione Traditional Name: [5-[1-(4-amino-2-fluoro-phenyl)ethyl]-3-methyl-1H-pyrrol-2-yl]-(p-tolyl)methanethione Formula: C21H21FN2S MolecularWeight: 352.468243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=C(C=C(N2)C(C)C3=C(C=C(C=C3)N)F)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=C(C=C(N2)C(C)C3=C(C=C(C=C3)N)F)C

InChI

InChI=1S/C21H21FN2S/c1-12-4-6-15(7-5-12)21(25)20-13(2)10-19(24-20)14(3)17-9-8-16(23)11-18(17)22/h4-11,14,24H,23H2,1-3H3