4-phenyl-3-(phenylmethylsulfanyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 4-phenyl-3-(phenylmethylsulfanyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 4-phenyl-3-(phenylmethylthio)-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C25H24N4O2S2 MolecularWeight: 476.61366

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O2S2/c30-33(31,28-16-7-8-17-28)23-15-9-12-21(18-23)24-26-27-25(29(24)22-13-5-2-6-14-22)32-19-20-10-3-1-4-11-20/h1-6,9-15,18H,7-8,16-17,19H2