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

Systemtic Name: N-[5-[(3-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide Openeye Name: N-[5-[(3-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide CAS Name: N-[5-[(3-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide IUPAC Name: N-[5-[(3-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide Traditional Name: N-[5-[(3-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide Formula: C17H14BrN3OS2 MolecularWeight: 420.34656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H14BrN3OS2/c1-11-4-2-6-13(8-11)15(22)19-16-20-21-17(24-16)23-10-12-5-3-7-14(18)9-12/h2-9H,10H2,1H3,(H,19,20,22)