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

Systemtic Name: 1,3-bis[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1,3-bis[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1,3-bis[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1,3-bis[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1,3-bis[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetone Formula: C21H20N6OS2 MolecularWeight: 436.5531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)CSC3=NNC(=N3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)CSC3=NNC(=N3)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H20N6OS2/c1-13-3-7-15(8-4-13)18-22-20(26-24-18)29-11-17(28)12-30-21-23-19(25-27-21)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,22,24,26)(H,23,25,27)