3-(4-methylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(4-methylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-(4-methylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-methylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(p-tolyl)-1,2,4-triazol-4-yl]amine Formula: C18H17N5O4S MolecularWeight: 399.42368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C18H17N5O4S/c1-11-2-4-12(5-3-11)17-20-21-18(22(17)19)28-9-14-7-15(23(24)25)6-13-8-26-10-27-16(13)14/h2-7H,8-10,19H2,1H3