3-(5-methyl-1H-pyrazol-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(5-methyl-1H-pyrazol-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(5-methyl-1H-pyrazol-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(5-methyl-1H-pyrazol-3-yl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(5-methyl-1H-pyrazol-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(5-methyl-1H-pyrazol-3-yl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C13H13N7O2S MolecularWeight: 331.35302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C2=NN=C(N2N)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1)C2=NN=C(N2N)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N7O2S/c1-8-6-11(16-15-8)12-17-18-13(19(12)14)23-7-9-2-4-10(5-3-9)20(21)22/h2-6H,7,14H2,1H3,(H,15,16)