N-(4-bromophenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-bromophenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide Openeye Name: N-(4-bromophenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide CAS Name: N-(4-bromophenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]propanamide IUPAC Name: N-(4-bromophenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide Traditional Name: N-(4-bromophenyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]propionamide Formula: C17H16BrN4OS+ MolecularWeight: 404.30414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN4OS/c18-13-6-8-14(9-7-13)21-16(23)10-11-24-17-19-12-20-22(17)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,21,23)/p+1