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

Systemtic Name: 3-(diphenylmethyl)sulfanyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-benzhydrylsulfanyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole CAS Name: 3-[(diphenylmethyl)thio]-4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazole IUPAC Name: 3-benzhydrylsulfanyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-(benzhydrylthio)-4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazole Formula: C26H26N4S MolecularWeight: 426.57644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4S/c1-4-12-21(13-5-1)25(22-14-6-2-7-15-22)31-26-28-27-24(20-29-18-10-11-19-29)30(26)23-16-8-3-9-17-23/h1-9,12-17,25H,10-11,18-20H2