N-[2-(4-bromophenyl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilamide Formula: C20H17BrN4O2S2 MolecularWeight: 489.40858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)NCCSC3=CC=C(C=C3)Br)CSC4=NC=NN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)NCCSC3=CC=C(C=C3)Br)CSC4=NC=NN4

InChI

InChI=1S/C20H17BrN4O2S2/c21-13-5-7-14(8-6-13)28-10-9-22-19(26)18-16(11-29-20-23-12-24-25-20)15-3-1-2-4-17(15)27-18/h1-8,12H,9-11H2,(H,22,26)(H,23,24,25)