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

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole Traditional Name: 3-[(2-methoxy-5-nitro-benzyl)thio]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H20N4O4S/c1-13-6-4-5-7-16(13)27-11-18-20-21-19(22(18)2)28-12-14-10-15(23(24)25)8-9-17(14)26-3/h4-10H,11-12H2,1-3H3