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

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]ethanone Formula: C27H26N4OS MolecularWeight: 454.58654

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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)CCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)C4=C(N(C(=C4)C)CCC5=CC=CC=C5)C

InChI

InChI=1S/C27H26N4OS/c1-18-15-26-28-29-27(31(26)24-12-8-7-11-22(18)24)33-17-25(32)23-16-19(2)30(20(23)3)14-13-21-9-5-4-6-10-21/h4-12,15-16H,13-14,17H2,1-3H3