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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C16H15N7O4S MolecularWeight: 401.3998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

InChI

InChI=1S/C16H15N7O4S/c1-27-13-5-4-11(23(25)26)7-12(13)19-14(24)9-28-16-21-20-15(22(16)17)10-3-2-6-18-8-10/h2-8H,9,17H2,1H3,(H,19,24)