3-(2,4-dinitrophenyl)sulfanyl-5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazole

Systemtic Name: 3-(2,4-dinitrophenyl)sulfanyl-5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazole Openeye Name: 3-(2,4-dinitrophenyl)sulfanyl-5-[(2R)-tetrahydrofuran-2-yl]-1H-1,2,4-triazole CAS Name: 3-[(2,4-dinitrophenyl)thio]-5-[(2R)-2-oxolanyl]-1H-1,2,4-triazole IUPAC Name: 3-(2,4-dinitrophenyl)sulfanyl-5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazole Traditional Name: 3-[(2,4-dinitrophenyl)thio]-5-[(2R)-tetrahydrofuran-2-yl]-1H-1,2,4-triazole Formula: C12H11N5O5S MolecularWeight: 337.31124

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)C2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O5S/c18-16(19)7-3-4-10(8(6-7)17(20)21)23-12-13-11(14-15-12)9-2-1-5-22-9/h3-4,6,9H,1-2,5H2,(H,13,14,15)/t9-/m1/s1