2-[3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

Systemtic Name: 2-[3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Openeye Name: 2-[3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone CAS Name: 2-[3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone IUPAC Name: 2-[3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Traditional Name: 2-[3-(4-bromophenyl)-4-p-phenetyl-5-thioxo-1,2,4-triazol-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Formula: C26H22BrN3O4S MolecularWeight: 552.43958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN(C2=S)CC(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=C(C=C5)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN(C2=S)CC(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H22BrN3O4S/c1-2-32-21-10-8-20(9-11-21)30-25(17-3-6-19(27)7-4-17)28-29(26(30)35)16-22(31)18-5-12-23-24(15-18)34-14-13-33-23/h3-12,15H,2,13-14,16H2,1H3