N-[3-fluoranyl-4-[1-[4-methyl-5-(4-methylphenyl)carbothioyl-1H-pyrrol-2-yl]ethyl]phenyl]ethanesulfonamide

Systemtic Name: N-[3-fluoranyl-4-[1-[4-methyl-5-(4-methylphenyl)carbothioyl-1H-pyrrol-2-yl]ethyl]phenyl]ethanesulfonamide Openeye Name: N-[3-fluoro-4-[1-[4-methyl-5-(4-methylbenzenecarbothioyl)-1H-pyrrol-2-yl]ethyl]phenyl]ethanesulfonamide CAS Name: N-[3-fluoro-4-[1-[4-methyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-1H-pyrrol-2-yl]ethyl]phenyl]ethanesulfonamide IUPAC Name: N-[3-fluoro-4-[1-[4-methyl-5-(4-methylbenzenecarbothioyl)-1H-pyrrol-2-yl]ethyl]phenyl]ethanesulfonamide Traditional Name: N-[3-fluoro-4-[1-[4-methyl-5-(4-methylthiobenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]ethanesulfonamide Formula: C23H25FN2O2S2 MolecularWeight: 444.585203

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC(=C(C=C1)C(C)C2=CC(=C(N2)C(=S)C3=CC=C(C=C3)C)C)F

Isomeric SMILES

CCS(=O)(=O)NC1=CC(=C(C=C1)C(C)C2=CC(=C(N2)C(=S)C3=CC=C(C=C3)C)C)F

InChI

InChI=1S/C23H25FN2O2S2/c1-5-30(27,28)26-18-10-11-19(20(24)13-18)16(4)21-12-15(3)22(25-21)23(29)17-8-6-14(2)7-9-17/h6-13,16,25-26H,5H2,1-4H3