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

Systemtic Name: 2-[[4-azanyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[[4-amino-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridyl)acetamide CAS Name: 2-[[4-amino-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-ylacetamide Traditional Name: 2-[[4-amino-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyridyl)acetamide Formula: C15H13N7O3S MolecularWeight: 371.37382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N7O3S/c16-21-14(10-3-5-12(6-4-10)22(24)25)19-20-15(21)26-9-13(23)18-11-2-1-7-17-8-11/h1-8H,9,16H2,(H,18,23)