N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[5-[(4-bromobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidinosulfonyl-benzamide Formula: C27H26BrN5O3S2 MolecularWeight: 612.56104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)Br

InChI

InChI=1S/C27H26BrN5O3S2/c28-22-12-8-20(9-13-22)19-37-27-31-30-25(33(27)23-6-2-1-3-7-23)18-29-26(34)21-10-14-24(15-11-21)38(35,36)32-16-4-5-17-32/h1-3,6-15H,4-5,16-19H2,(H,29,34)