3-[(3-methoxyphenoxy)methyl]-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3-methoxyphenoxy)methyl]-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(3-methoxyphenoxy)methyl]-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(3-methoxyphenoxy)methyl]-5-[(3-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-methoxyphenoxy)methyl]-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(3-methoxyphenoxy)methyl]-5-[(3-nitrobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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