1-(2-bromophenyl)-N-(3-phenylsulfanylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(2-bromophenyl)-N-(3-phenylsulfanylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-(2-bromophenyl)-N-(3-phenylsulfanylpropyl)triazole-4-carboxamide CAS Name: 1-(2-bromophenyl)-N-[3-(phenylthio)propyl]-4-triazolecarboxamide IUPAC Name: 1-(2-bromophenyl)-N-(3-phenylsulfanylpropyl)triazole-4-carboxamide Traditional Name: 1-(2-bromophenyl)-N-[3-(phenylthio)propyl]triazole-4-carboxamide Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)C2=CN(N=N2)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)C2=CN(N=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C18H17BrN4OS/c19-15-9-4-5-10-17(15)23-13-16(21-22-23)18(24)20-11-6-12-25-14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H,20,24)