3-[(3-bromophenyl)methylsulfanyl]-4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(3-bromophenyl)methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-(phenylmethyl)-5-(1-pyrrolidinylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(3-bromophenyl)methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-[(3-bromobenzyl)thio]-5-(pyrrolidinomethyl)-1,2,4-triazole Formula: C21H23BrN4S MolecularWeight: 443.40312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H23BrN4S/c22-19-10-6-9-18(13-19)16-27-21-24-23-20(15-25-11-4-5-12-25)26(21)14-17-7-2-1-3-8-17/h1-3,6-10,13H,4-5,11-12,14-16H2