3-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione

Systemtic Name: 3-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione Openeye Name: 3-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione CAS Name: 3-[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]pentane-2,4-dione IUPAC Name: 3-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione Traditional Name: 3-[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]pentane-2,4-dione Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NN=C(N1C2=CC=CC=C2)CSC3=CC=CC=C3

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NN=C(N1C2=CC=CC=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O2S2/c1-14(24)19(15(2)25)27-20-22-21-18(13-26-17-11-7-4-8-12-17)23(20)16-9-5-3-6-10-16/h3-12,19H,13H2,1-2H3