3-(4-nitrophenyl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-nitrophenyl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-nitrophenyl)-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-nitrophenyl)-4-(2-oxolanylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-nitrophenyl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-nitrophenyl)-4-(tetrahydrofurfuryl)-1H-1,2,4-triazole-5-thione Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S/c18-17(19)10-5-3-9(4-6-10)12-14-15-13(21)16(12)8-11-2-1-7-20-11/h3-6,11H,1-2,7-8H2,(H,15,21)