N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-bromanyl-pyridine-3-carboxamide

Systemtic Name: N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[5-(1H-benzimidazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-bromopyridine-3-carboxamide Traditional Name: N-[5-(1H-benzimidazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]-5-bromo-nicotinamide Formula: C16H11BrN6OS2 MolecularWeight: 447.33214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(S3)NC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(S3)NC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C16H11BrN6OS2/c17-10-5-9(6-18-7-10)14(24)21-15-22-23-16(26-15)25-8-13-19-11-3-1-2-4-12(11)20-13/h1-7H,8H2,(H,19,20)(H,21,22,24)