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

Systemtic Name: 3-(3,5-dimethoxyphenyl)-5-(2,4-dinitrophenyl)sulfanyl-4-ethyl-1,2,4-triazole Openeye Name: 3-(3,5-dimethoxyphenyl)-5-(2,4-dinitrophenyl)sulfanyl-4-ethyl-1,2,4-triazole CAS Name: 3-(3,5-dimethoxyphenyl)-5-[(2,4-dinitrophenyl)thio]-4-ethyl-1,2,4-triazole IUPAC Name: 3-(3,5-dimethoxyphenyl)-5-(2,4-dinitrophenyl)sulfanyl-4-ethyl-1,2,4-triazole Traditional Name: 3-(3,5-dimethoxyphenyl)-5-[(2,4-dinitrophenyl)thio]-4-ethyl-1,2,4-triazole Formula: C18H17N5O6S MolecularWeight: 431.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C18H17N5O6S/c1-4-21-17(11-7-13(28-2)10-14(8-11)29-3)19-20-18(21)30-16-6-5-12(22(24)25)9-15(16)23(26)27/h5-10H,4H2,1-3H3