3-(2,4-dinitrophenyl)sulfanyl-4-ethyl-5-propyl-1,2,4-triazole

Systemtic Name: 3-(2,4-dinitrophenyl)sulfanyl-4-ethyl-5-propyl-1,2,4-triazole Openeye Name: 3-(2,4-dinitrophenyl)sulfanyl-4-ethyl-5-propyl-1,2,4-triazole CAS Name: 3-[(2,4-dinitrophenyl)thio]-4-ethyl-5-propyl-1,2,4-triazole IUPAC Name: 3-(2,4-dinitrophenyl)sulfanyl-4-ethyl-5-propyl-1,2,4-triazole Traditional Name: 3-[(2,4-dinitrophenyl)thio]-4-ethyl-5-propyl-1,2,4-triazole Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1CC)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O4S/c1-3-5-12-14-15-13(16(12)4-2)23-11-7-6-9(17(19)20)8-10(11)18(21)22/h6-8H,3-5H2,1-2H3