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

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine Openeye Name: 2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine CAS Name: 2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-5-nitropyridine IUPAC Name: 2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyridine Traditional Name: 2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-5-nitro-pyridine Formula: C15H14N6O3S MolecularWeight: 358.37506

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=NC=C3

Isomeric SMILES

COCCN1C(=NN=C1SC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C15H14N6O3S/c1-24-9-8-20-14(11-4-6-16-7-5-11)18-19-15(20)25-13-3-2-12(10-17-13)21(22)23/h2-7,10H,8-9H2,1H3