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

Systemtic Name: 3-(2,4-dichlorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2,4-dichlorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2,4-dichlorophenyl)-5-[(3-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(2,4-dichlorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2,4-dichlorophenyl)-5-[(3-nitrobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C15H11Cl2N5O2S MolecularWeight: 396.25114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11Cl2N5O2S/c16-10-4-5-12(13(17)7-10)14-19-20-15(21(14)18)25-8-9-2-1-3-11(6-9)22(23)24/h1-7H,8,18H2