3-[(3-nitro-4-propoxy-phenyl)methylsulfanyl]-5-(2-propoxyphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(3-nitro-4-propoxy-phenyl)methylsulfanyl]-5-(2-propoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(3-nitro-4-propoxy-phenyl)methylsulfanyl]-5-(2-propoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(3-nitro-4-propoxyphenyl)methylthio]-5-(2-propoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(3-nitro-4-propoxyphenyl)methylsulfanyl]-5-(2-propoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(3-nitro-4-propoxy-benzyl)thio]-5-(2-propoxyphenyl)-1H-1,2,4-triazole Formula: C21H24N4O4S MolecularWeight: 428.50466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3OCCC)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3OCCC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-3-11-28-18-8-6-5-7-16(18)20-22-21(24-23-20)30-14-15-9-10-19(29-12-4-2)17(13-15)25(26)27/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,23,24)