3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-methoxy-5-nitro-benzyl)thio]-5-(4-methoxyphenyl)-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)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17N5O4S/c1-25-14-6-3-11(4-7-14)16-19-20-17(21(16)18)27-10-12-9-13(22(23)24)5-8-15(12)26-2/h3-9H,10,18H2,1-2H3