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

Systemtic Name: 1-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-allyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-[[(4-methylphenyl)thio]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-allyl-5-[(p-tolylthio)methyl]-1,2,4-triazol-3-yl]thio]acetone Formula: C16H19N3OS2 MolecularWeight: 333.47156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SCC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SCC(=O)C

InChI

InChI=1S/C16H19N3OS2/c1-4-9-19-15(17-18-16(19)22-10-13(3)20)11-21-14-7-5-12(2)6-8-14/h4-8H,1,9-11H2,2-3H3