[4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]phenyl]-pyrrolidino-methanone Formula: C27H24N4OS MolecularWeight: 452.57066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4OS/c32-26(31-17-7-8-18-31)23-15-13-20(14-16-23)19-33-27-28-24(21-9-3-1-4-10-21)25(29-30-27)22-11-5-2-6-12-22/h1-6,9-16H,7-8,17-19H2