3-[3-[(4-nitrophenoxy)methyl]phenyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[3-[(4-nitrophenoxy)methyl]phenyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[3-[(4-nitrophenoxy)methyl]phenyl]-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[3-[(4-nitrophenoxy)methyl]phenyl]-4-(2-oxolanylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[3-[(4-nitrophenoxy)methyl]phenyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[3-[(4-nitrophenoxy)methyl]phenyl]-4-(tetrahydrofurfuryl)-1H-1,2,4-triazole-5-thione Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NNC2=S)C3=CC(=CC=C3)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CN2C(=NNC2=S)C3=CC(=CC=C3)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c25-24(26)16-6-8-17(9-7-16)28-13-14-3-1-4-15(11-14)19-21-22-20(29)23(19)12-18-5-2-10-27-18/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H,22,29)