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

Systemtic Name: 3-ethyl-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-ethyl-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-ethyl-5-[(4-methoxy-3-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-ethyl-5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-ethyl-5-[(4-methoxy-3-nitro-benzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C12H15N5O3S MolecularWeight: 309.3442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1N)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O3S/c1-3-11-14-15-12(16(11)13)21-7-8-4-5-10(20-2)9(6-8)17(18)19/h4-6H,3,7,13H2,1-2H3