4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C16H13BrN4OS MolecularWeight: 389.26962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)N)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)N)Br

InChI

InChI=1S/C16H13BrN4OS/c17-13-4-2-1-3-12(13)15-19-16(21-20-15)23-9-10-5-7-11(8-6-10)14(18)22/h1-8H,9H2,(H2,18,22)(H,19,20,21)