N-[5-[2-(4-bromophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[5-[2-(4-bromophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[5-[2-(4-bromophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[5-[2-(4-bromophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[5-[2-(4-bromophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[5-(2-brosylethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Formula: C18H15BrN4O5S2 MolecularWeight: 511.3695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CCS(=O)(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CCS(=O)(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H15BrN4O5S2/c1-11-2-3-12(10-15(11)23(25)26)17(24)20-18-22-21-16(29-18)8-9-30(27,28)14-6-4-13(19)5-7-14/h2-7,10H,8-9H2,1H3,(H,20,22,24)