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

Systemtic Name: 3-(diphenylmethyl)sulfanyl-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 3-benzhydrylsulfanyl-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 3-[(diphenylmethyl)thio]-4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 3-benzhydrylsulfanyl-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 3-(benzhydrylthio)-4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C31H28N4O2S2 MolecularWeight: 552.70962

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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)SC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C31H28N4O2S2/c36-39(37,34-21-10-11-22-34)28-20-12-17-26(23-28)30-32-33-31(35(30)27-18-8-3-9-19-27)38-29(24-13-4-1-5-14-24)25-15-6-2-7-16-25/h1-9,12-20,23,29H,10-11,21-22H2