3-(4-methoxyphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(4-methoxyphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(4-methoxyphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(4-methoxyphenyl)-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-methoxyphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(4-methoxyphenyl)-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazol-4-yl]amine Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCCOC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCCOC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S/c1-25-14-7-5-12(6-8-14)16-19-20-17(21(16)18)27-10-9-26-15-4-2-3-13(11-15)22(23)24/h2-8,11H,9-10,18H2,1H3