2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C29H23FN4OS MolecularWeight: 494.582523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H23FN4OS/c1-19-17-25(20(2)34(19)24-15-13-23(30)14-16-24)26(35)18-36-29-31-27(21-9-5-3-6-10-21)28(32-33-29)22-11-7-4-8-12-22/h3-17H,18H2,1-2H3