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

Systemtic Name: N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-[[(3-bromophenyl)methylthio]methyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-[[(3-bromobenzyl)thio]methyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C17H13BrN4O3S2 MolecularWeight: 465.34412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrN4O3S2/c18-13-3-1-2-11(8-13)9-26-10-15-20-21-17(27-15)19-16(23)12-4-6-14(7-5-12)22(24)25/h1-8H,9-10H2,(H,19,21,23)