3-[(2-ethoxy-5-nitro-phenyl)methylsulfanyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(2-ethoxy-5-nitro-phenyl)methylsulfanyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-ethoxy-5-nitro-phenyl)methylsulfanyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-ethoxy-5-nitrophenyl)methylthio]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-ethoxy-5-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-ethoxy-5-nitro-benzyl)thio]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole Formula: C24H22N4O4S MolecularWeight: 462.52088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O4S/c1-2-31-22-14-13-20(28(29)30)15-18(22)17-33-24-26-25-23(16-32-21-11-7-4-8-12-21)27(24)19-9-5-3-6-10-19/h3-15H,2,16-17H2,1H3