3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]-4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazole IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Traditional Name: 3-[(2-methoxy-5-nitro-benzyl)thio]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C16H16N4O4S MolecularWeight: 360.38764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H16N4O4S/c1-10-13(6-7-24-10)15-17-18-16(19(15)2)25-9-11-8-12(20(21)22)4-5-14(11)23-3/h4-8H,9H2,1-3H3