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

Systemtic Name: 3-(furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2-furyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2-furanyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2-furyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C13H11N5O3S MolecularWeight: 317.32314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O3S/c14-17-12(11-2-1-7-21-11)15-16-13(17)22-8-9-3-5-10(6-4-9)18(19)20/h1-7H,8,14H2