2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine

Systemtic Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine Openeye Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine CAS Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-5-nitropyridine IUPAC Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyridine Traditional Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-5-nitro-pyridine Formula: C15H13N5O4S MolecularWeight: 359.35982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O4S/c1-23-11-5-9(6-12(7-11)24-2)14-17-15(19-18-14)25-13-4-3-10(8-16-13)20(21)22/h3-8H,1-2H3,(H,17,18,19)