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

Systemtic Name: 3-(2-chlorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2-chlorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2-chlorophenyl)-5-[(3-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(2-chlorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2-chlorophenyl)-5-[(3-nitrobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C15H12ClN5O2S MolecularWeight: 361.80608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN5O2S/c16-13-7-2-1-6-12(13)14-18-19-15(20(14)17)24-9-10-4-3-5-11(8-10)21(22)23/h1-8H,9,17H2