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

Systemtic Name: 5-bromanyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]nicotinamide Formula: C16H10BrN5OS2 MolecularWeight: 432.3175

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC(=CN=C3)Br)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC(=CN=C3)Br)C#N

InChI

InChI=1S/C16H10BrN5OS2/c17-13-5-12(7-19-8-13)14(23)20-15-21-22-16(25-15)24-9-11-3-1-10(6-18)2-4-11/h1-5,7-8H,9H2,(H,20,21,23)