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

Systemtic Name: 3-(2-methoxyphenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Openeye Name: 3-(2-methoxyphenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole CAS Name: 3-(2-methoxyphenyl)-5-[(2-methyl-3-nitrophenyl)methylthio]-4-phenethyl-1,2,4-triazole IUPAC Name: 3-(2-methoxyphenyl)-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Traditional Name: 3-(2-methoxyphenyl)-5-[(2-methyl-3-nitro-benzyl)thio]-4-phenethyl-1,2,4-triazole Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H24N4O3S/c1-18-20(11-8-13-22(18)29(30)31)17-33-25-27-26-24(21-12-6-7-14-23(21)32-2)28(25)16-15-19-9-4-3-5-10-19/h3-14H,15-17H2,1-2H3