2-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethoxy-1,3,4-thiadiazole

Systemtic Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethoxy-1,3,4-thiadiazole Openeye Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethoxy-1,3,4-thiadiazole CAS Name: 2-[[4-(3-bromophenyl)sulfonyl-1-piperazinyl]methyl]-5-ethoxy-1,3,4-thiadiazole IUPAC Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethoxy-1,3,4-thiadiazole Traditional Name: 2-[[4-(3-bromophenyl)sulfonylpiperazino]methyl]-5-ethoxy-1,3,4-thiadiazole Formula: C15H19BrN4O3S2 MolecularWeight: 447.37036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN=C(S1)CN2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC1=NN=C(S1)CN2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C15H19BrN4O3S2/c1-2-23-15-18-17-14(24-15)11-19-6-8-20(9-7-19)25(21,22)13-5-3-4-12(16)10-13/h3-5,10H,2,6-9,11H2,1H3