N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide Formula: C14H17N5O4S MolecularWeight: 351.38088

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H17N5O4S/c1-2-3-12-16-17-14(24)18(12)8-13(21)15-7-9-6-10(19(22)23)4-5-11(9)20/h4-6,20H,2-3,7-8H2,1H3,(H,15,21)(H,17,24)