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

Systemtic Name: 3-[(3-phenoxyphenyl)methylsulfanyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 3-[(3-phenoxyphenyl)methylsulfanyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 3-[(3-phenoxyphenyl)methylthio]-4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 3-[(3-phenoxyphenyl)methylsulfanyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 3-[(3-phenoxybenzyl)thio]-4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C31H28N4O3S2 MolecularWeight: 568.70902

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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)OC6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC(=CC=C5)OC6=CC=CC=C6

InChI

InChI=1S/C31H28N4O3S2/c36-40(37,34-19-7-8-20-34)29-18-10-12-25(22-29)30-32-33-31(35(30)26-13-3-1-4-14-26)39-23-24-11-9-17-28(21-24)38-27-15-5-2-6-16-27/h1-6,9-18,21-22H,7-8,19-20,23H2