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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-ethoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxy-2-nitrophenyl)acetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-ethoxy-2-nitro-phenyl)acetamide Formula: C17H17N7O4S MolecularWeight: 415.42638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N7O4S/c1-2-28-12-5-6-13(14(8-12)24(26)27)20-15(25)10-29-17-22-21-16(23(17)18)11-4-3-7-19-9-11/h3-9H,2,10,18H2,1H3,(H,20,25)