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

Systemtic Name: 1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C27H27FN4OS MolecularWeight: 474.592883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)F)C)C(=O)CSC3=NN=C(N3CC=C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)F)C)C(=O)CSC3=NN=C(N3CC=C)C4=CC=CC=C4

InChI

InChI=1S/C27H27FN4OS/c1-4-15-32-26(22-8-6-5-7-9-22)29-30-27(32)34-18-25(33)24-17-19(2)31(20(24)3)16-14-21-10-12-23(28)13-11-21/h4-13,17H,1,14-16,18H2,2-3H3