1,3-bis[[1-(4-ethanoylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propan-2-one

Systemtic Name: 1,3-bis[[1-(4-ethanoylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propan-2-one Openeye Name: 1,3-bis[[1-(4-acetylphenyl)tetrazol-5-yl]sulfanyl]propan-2-one CAS Name: 1,3-bis[[1-(4-acetylphenyl)-5-tetrazolyl]thio]-2-propanone IUPAC Name: 1,3-bis[[1-(4-acetylphenyl)tetrazol-5-yl]sulfanyl]propan-2-one Traditional Name: 1,3-bis[[1-(4-acetylphenyl)tetrazol-5-yl]thio]acetone Formula: C21H18N8O3S2 MolecularWeight: 494.54942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)CSC3=NN=NN3C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)CSC3=NN=NN3C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C21H18N8O3S2/c1-13(30)15-3-7-17(8-4-15)28-20(22-24-26-28)33-11-19(32)12-34-21-23-25-27-29(21)18-9-5-16(6-10-18)14(2)31/h3-10H,11-12H2,1-2H3