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

Systemtic Name: 2-[[5-(3,5-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine Openeye Name: 2-[[5-(3,5-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine CAS Name: 2-[[5-(3,5-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-5-nitropyridine IUPAC Name: 2-[[5-(3,5-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyridine Traditional Name: 2-[[5-(3,5-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-5-nitro-pyridine Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O4S/c1-4-21-16(11-7-13(25-2)9-14(8-11)26-3)19-20-17(21)27-15-6-5-12(10-18-15)22(23)24/h5-10H,4H2,1-3H3