4-(phenylmethyl)-3-[(2-phenylphenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,2,4-triazole

Systemtic Name: 4-(phenylmethyl)-3-[(2-phenylphenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[(2-phenylphenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 4-(phenylmethyl)-3-[(2-phenylphenyl)methylthio]-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(2-phenylphenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(2-phenylbenzyl)thio]-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C26H26N4S MolecularWeight: 426.57644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

C1CC(NC1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC=C4C5=CC=CC=C5

InChI

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