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

Systemtic Name: 3-[(2-methylphenoxy)methyl]-5-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-methylphenoxy)methyl]-5-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-methylphenoxy)methyl]-5-[(3-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-methylphenoxy)methyl]-5-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-methylphenoxy)methyl]-5-[(3-nitrobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O3S/c1-17-8-5-6-13-21(17)30-15-22-24-25-23(26(22)19-10-3-2-4-11-19)31-16-18-9-7-12-20(14-18)27(28)29/h2-14H,15-16H2,1H3