2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C25H22N4OS2 MolecularWeight: 458.59838

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C25H22N4OS2/c30-22(29-15-7-13-20(29)21-14-8-16-31-21)17-32-25-26-23(18-9-3-1-4-10-18)24(27-28-25)19-11-5-2-6-12-19/h1-6,8-12,14,16,20H,7,13,15,17H2