4-(4-methoxyphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-(4-methoxyphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(4-methoxyphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(4-methoxyphenyl)-3-[(3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(4-methoxyphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(4-methoxyphenyl)-3-[(3-nitrobenzyl)thio]-1,2,4-triazole Formula: C16H14N4O3S MolecularWeight: 342.37236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3S/c1-23-15-7-5-13(6-8-15)19-11-17-18-16(19)24-10-12-3-2-4-14(9-12)20(21)22/h2-9,11H,10H2,1H3