1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-3-pyrrolyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]ethanone Formula: C25H22F3N5OS MolecularWeight: 497.53529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4

InChI

InChI=1S/C25H22F3N5OS/c1-4-12-32-23(18-8-10-29-11-9-18)30-31-24(32)35-15-22(34)21-13-16(2)33(17(21)3)20-7-5-6-19(14-20)25(26,27)28/h4-11,13-14H,1,12,15H2,2-3H3