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

Systemtic Name: 3-(2-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Openeye Name: 3-(2-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole CAS Name: 3-(2-methoxyphenyl)-5-[(4-nitrophenyl)methylthio]-4-phenethyl-1,2,4-triazole IUPAC Name: 3-(2-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Traditional Name: 3-(2-methoxyphenyl)-5-[(4-nitrobenzyl)thio]-4-phenethyl-1,2,4-triazole Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O3S/c1-31-22-10-6-5-9-21(22)23-25-26-24(27(23)16-15-18-7-3-2-4-8-18)32-17-19-11-13-20(14-12-19)28(29)30/h2-14H,15-17H2,1H3