N-(4-methoxy-2-nitro-phenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H14N6O4S MolecularWeight: 386.38516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O4S/c1-26-11-2-3-12(13(8-11)22(24)25)18-14(23)9-27-16-19-15(20-21-16)10-4-6-17-7-5-10/h2-8H,9H2,1H3,(H,18,23)(H,19,20,21)