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

Systemtic Name: 3-(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(4-chlorophenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(4-chlorophenyl)-5-[(4-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(=CC=C1CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

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