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

Systemtic Name: 4-bromanyl-N-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-4-bromo-benzamide CAS Name: 4-bromo-N-[5-[(phenylmethylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-4-bromobenzamide Traditional Name: N-[5-[(benzylthio)methyl]-1,3,4-thiadiazol-2-yl]-4-bromo-benzamide Formula: C17H14BrN3OS2 MolecularWeight: 420.34656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrN3OS2/c18-14-8-6-13(7-9-14)16(22)19-17-21-20-15(24-17)11-23-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,21,22)