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

Systemtic Name: 1-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]acetone Formula: C18H17N3OS2 MolecularWeight: 355.47708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=CC=CC=C3

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C18H17N3OS2/c1-14(22)12-24-18-20-19-17(13-23-16-10-6-3-7-11-16)21(18)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3