N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[5-[(4-bromobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Formula: C21H17BrN4OS2 MolecularWeight: 485.41988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CNC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C21H17BrN4OS2/c22-16-10-8-15(9-11-16)14-29-21-25-24-19(26(21)17-5-2-1-3-6-17)13-23-20(27)18-7-4-12-28-18/h1-12H,13-14H2,(H,23,27)