4-butyl-3-[2-(3-nitrophenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[2-(3-nitrophenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-(3-nitrophenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[2-(3-nitrophenoxy)ethylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-(3-nitrophenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[2-(3-nitrophenoxy)ethylthio]-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=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O4S/c1-2-3-7-17-13(19)15-16-14(17)23-9-8-22-12-6-4-5-11(10-12)18(20)21/h4-6,10H,2-3,7-9H2,1H3,(H,15,19)