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

Systemtic Name: 5-(3,5-dimethoxyphenyl)-3-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-(3,5-dimethoxyphenyl)-3-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-(3,5-dimethoxyphenyl)-3-[(2,4-dinitrophenyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-(3,5-dimethoxyphenyl)-3-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-(3,5-dimethoxyphenyl)-3-[(2,4-dinitrophenyl)thio]-1H-1,2,4-triazole Formula: C16H13N5O6S MolecularWeight: 403.36932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C16H13N5O6S/c1-26-11-5-9(6-12(8-11)27-2)15-17-16(19-18-15)28-14-4-3-10(20(22)23)7-13(14)21(24)25/h3-8H,1-2H3,(H,17,18,19)