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

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C11H12N6O4S MolecularWeight: 324.31578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=CN2N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=CN2N)[N+](=O)[O-]

InChI

InChI=1S/C11H12N6O4S/c1-21-7-2-3-8(9(4-7)17(19)20)14-10(18)5-22-11-15-13-6-16(11)12/h2-4,6H,5,12H2,1H3,(H,14,18)