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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide Formula: C16H11BrN4O3S MolecularWeight: 419.25254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN4O3S/c1-9-12(3-2-4-13(9)21(23)24)14(22)18-16-20-19-15(25-16)10-5-7-11(17)8-6-10/h2-8H,1H3,(H,18,20,22)