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

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 3-[(3,4-dichlorobenzyl)thio]-4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C25H22Cl2N4O2S2 MolecularWeight: 545.50378

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H22Cl2N4O2S2/c26-22-12-11-18(15-23(22)27)17-34-25-29-28-24(31(25)20-8-2-1-3-9-20)19-7-6-10-21(16-19)35(32,33)30-13-4-5-14-30/h1-3,6-12,15-16H,4-5,13-14,17H2