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

Systemtic Name: 3-bromanyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-bromo-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-bromo-N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-bromo-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3-bromo-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H11BrN4OS2 MolecularWeight: 431.32944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrN4OS2/c18-14-3-1-2-13(8-14)15(23)20-16-21-22-17(25-16)24-10-12-6-4-11(9-19)5-7-12/h1-8H,10H2,(H,20,21,23)