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

Systemtic Name: 3-[(3-nitrophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(3-nitrophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 3-[(3-nitrophenyl)methylthio]-4-(2-oxolanylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(3-nitrophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-[(3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3S/c24-23(25)14-5-1-4-13(10-14)12-27-18-21-20-17(16-7-2-8-19-16)22(18)11-15-6-3-9-26-15/h1,4-5,10,15-16,19H,2-3,6-9,11-12H2