4-butyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(2-methoxy-5-nitrophenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(2-methoxy-5-nitro-benzyl)thio]-1H-1,2,4-triazol-5-one Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C14H18N4O4S/c1-3-4-7-17-13(19)15-16-14(17)23-9-10-8-11(18(20)21)5-6-12(10)22-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,19)