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

Systemtic Name: 3,4-bis(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3,4-bis(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3,4-bis(4-methoxyphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3,4-bis(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3,4-bis(4-methoxyphenyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O4S/c1-30-20-11-5-17(6-12-20)22-24-25-23(26(22)18-9-13-21(31-2)14-10-18)32-15-16-3-7-19(8-4-16)27(28)29/h3-14H,15H2,1-2H3