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

Systemtic Name: 1-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-phenyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-[[(4-methylphenyl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-phenyl-5-[(p-tolylthio)methyl]-1,2,4-triazol-3-yl]thio]acetone Formula: C19H19N3OS2 MolecularWeight: 369.50366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C

InChI

InChI=1S/C19H19N3OS2/c1-14-8-10-17(11-9-14)24-13-18-20-21-19(25-12-15(2)23)22(18)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3