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

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-methoxy-3-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-methoxy-3-nitro-benzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C10H11N5O3S MolecularWeight: 281.29104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=CN2N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=CN2N)[N+](=O)[O-]

InChI

InChI=1S/C10H11N5O3S/c1-18-9-3-2-7(4-8(9)15(16)17)5-19-10-13-12-6-14(10)11/h2-4,6H,5,11H2,1H3