3-bromanyl-N-(2-phenylsulfanylethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

Systemtic Name: 3-bromanyl-N-(2-phenylsulfanylethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide Openeye Name: 3-bromo-N-(2-phenylsulfanylethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide CAS Name: 3-bromo-N-[2-(phenylthio)ethyl]-6-(1,2,4-triazol-4-yl)-2-pyridinecarboxamide IUPAC Name: 3-bromo-N-(2-phenylsulfanylethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide Traditional Name: 3-bromo-N-[2-(phenylthio)ethyl]-6-(1,2,4-triazol-4-yl)picolinamide Formula: C16H14BrN5OS MolecularWeight: 404.28426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)C2=C(C=CC(=N2)N3C=NN=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)C2=C(C=CC(=N2)N3C=NN=C3)Br

InChI

InChI=1S/C16H14BrN5OS/c17-13-6-7-14(22-10-19-20-11-22)21-15(13)16(23)18-8-9-24-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,18,23)