1-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone

Systemtic Name: 1-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone Openeye Name: 1-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone CAS Name: 1-[1-(3-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]ethanone IUPAC Name: 1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone Traditional Name: 1-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]ethanone Formula: C25H21FN4OS MolecularWeight: 444.523843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)C4=C(N(C(=C4)C)C5=CC(=CC=C5)F)C

Isomeric SMILES

CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)C4=C(N(C(=C4)C)C5=CC(=CC=C5)F)C

InChI

InChI=1S/C25H21FN4OS/c1-15-11-24-27-28-25(30(24)22-10-5-4-9-20(15)22)32-14-23(31)21-12-16(2)29(17(21)3)19-8-6-7-18(26)13-19/h4-13H,14H2,1-3H3