3-[(4-nitrophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 3-[(4-nitrophenyl)methylthio]-4-(2-oxolanylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-[(4-nitrobenzyl)thio]-5-pyrrolidin-2-yl-4-(tetrahydrofurfuryl)-1,2,4-triazole Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=NN=C(N2CC3CCCO3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(NC1)C2=NN=C(N2CC3CCCO3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3S/c24-23(25)14-7-5-13(6-8-14)12-27-18-21-20-17(16-4-1-9-19-16)22(18)11-15-3-2-10-26-15/h5-8,15-16,19H,1-4,9-12H2