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

Systemtic Name: 1-[[4-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-ethyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-ethyl-5-[[(4-methylphenyl)thio]methyl]-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-ethyl-5-[(p-tolylthio)methyl]-1,2,4-triazol-3-yl]thio]acetone Formula: C15H19N3OS2 MolecularWeight: 321.46086

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C)CSC2=CC=C(C=C2)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C)CSC2=CC=C(C=C2)C

InChI

InChI=1S/C15H19N3OS2/c1-4-18-14(16-17-15(18)21-9-12(3)19)10-20-13-7-5-11(2)6-8-13/h5-8H,4,9-10H2,1-3H3