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

Systemtic Name: 2-[(4-azanyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C13H16N6O4S MolecularWeight: 352.36894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1N)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O4S/c1-3-11-16-17-13(18(11)14)24-7-12(20)15-9-5-4-8(23-2)6-10(9)19(21)22/h4-6H,3,7,14H2,1-2H3,(H,15,20)