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

Systemtic Name: 3-(2,4-dichlorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2,4-dichlorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2,4-dichlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(2,4-dichlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2,4-dichlorophenyl)-5-[(2-methoxy-5-nitro-benzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C16H13Cl2N5O3S MolecularWeight: 426.27712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H13Cl2N5O3S/c1-26-14-5-3-11(23(24)25)6-9(14)8-27-16-21-20-15(22(16)19)12-4-2-10(17)7-13(12)18/h2-7H,8,19H2,1H3