1-(4-bromophenyl)-2-[3-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[3-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone Openeye Name: 2-[4-allyl-3-(p-tolylsulfanylmethyl)-5-thioxo-1,2,4-triazol-1-yl]-1-(4-bromophenyl)ethanone CAS Name: 1-(4-bromophenyl)-2-[3-[[(4-methylphenyl)thio]methyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[3-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone Traditional Name: 2-[4-allyl-3-[(p-tolylthio)methyl]-5-thioxo-1,2,4-triazol-1-yl]-1-(4-bromophenyl)ethanone Formula: C21H20BrN3OS2 MolecularWeight: 474.437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN(C(=S)N2CC=C)CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN(C(=S)N2CC=C)CC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3OS2/c1-3-12-24-20(14-28-18-10-4-15(2)5-11-18)23-25(21(24)27)13-19(26)16-6-8-17(22)9-7-16/h3-11H,1,12-14H2,2H3