3-[(4-bromophenyl)methylsulfanyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C25H23BrN4O2S2 MolecularWeight: 555.50972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)Br

InChI

InChI=1S/C25H23BrN4O2S2/c26-21-13-11-19(12-14-21)18-33-25-28-27-24(30(25)22-8-2-1-3-9-22)20-7-6-10-23(17-20)34(31,32)29-15-4-5-16-29/h1-3,6-14,17H,4-5,15-16,18H2