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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C12H14N6O4S MolecularWeight: 338.34236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CSC2=NNC(=N2)N)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CSC2=NNC(=N2)N)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H14N6O4S/c1-6-3-8(18(20)21)9(22-2)4-7(6)14-10(19)5-23-12-15-11(13)16-17-12/h3-4H,5H2,1-2H3,(H,14,19)(H3,13,15,16,17)