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

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 3-[(3-chlorophenyl)methylthio]-4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 3-[(3-chlorobenzyl)thio]-4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C25H23ClN4O2S2 MolecularWeight: 511.05872

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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(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN4O2S2/c26-21-10-6-8-19(16-21)18-33-25-28-27-24(30(25)22-11-2-1-3-12-22)20-9-7-13-23(17-20)34(31,32)29-14-4-5-15-29/h1-3,6-13,16-17H,4-5,14-15,18H2