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

Systemtic Name: N-(4-nitrophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-nitrophenyl)-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-nitrophenyl)-2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-nitrophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-nitrophenyl)-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C15H12N6O3S MolecularWeight: 356.35918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N6O3S/c22-13(17-11-3-5-12(6-4-11)21(23)24)9-25-15-18-14(19-20-15)10-2-1-7-16-8-10/h1-8H,9H2,(H,17,22)(H,18,19,20)