3-[(2-methoxy-4-methyl-phenoxy)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

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