3-(2-methoxyphenyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-(2-methoxyphenyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-4-phenethyl-1,2,4-triazole Openeye Name: 3-(2-methoxyphenyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-4-phenethyl-1,2,4-triazole CAS Name: 3-(2-methoxyphenyl)-5-[1-(3-nitrophenyl)ethylthio]-4-phenethyl-1,2,4-triazole IUPAC Name: 3-(2-methoxyphenyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-4-phenethyl-1,2,4-triazole Traditional Name: 3-(2-methoxyphenyl)-5-[1-(3-nitrophenyl)ethylthio]-4-phenethyl-1,2,4-triazole Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC

InChI

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