4-(oxolan-2-ylmethyl)-3-(phenylmethylsulfanyl)-5-pyrrolidin-2-yl-1,2,4-triazole

Systemtic Name: 4-(oxolan-2-ylmethyl)-3-(phenylmethylsulfanyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-pyrrolidin-2-yl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 4-(2-oxolanylmethyl)-3-(phenylmethylthio)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-pyrrolidin-2-yl-4-(tetrahydrofurfuryl)-1,2,4-triazole Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=NN=C(N2CC3CCCO3)SCC4=CC=CC=C4

Isomeric SMILES

C1CC(NC1)C2=NN=C(N2CC3CCCO3)SCC4=CC=CC=C4

InChI

InChI=1S/C18H24N4OS/c1-2-6-14(7-3-1)13-24-18-21-20-17(16-9-4-10-19-16)22(18)12-15-8-5-11-23-15/h1-3,6-7,15-16,19H,4-5,8-13H2