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

Systemtic Name: 3-[2-(3-nitrophenoxy)ethylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(3-nitrophenoxy)ethylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[2-(3-nitrophenoxy)ethylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(3-nitrophenoxy)ethylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[2-(3-nitrophenoxy)ethylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCOC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCOC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c23-17-19-20-18(21(17)10-9-14-5-2-1-3-6-14)27-12-11-26-16-8-4-7-15(13-16)22(24)25/h1-8,13H,9-12H2,(H,19,23)