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

Systemtic Name: 3-(2-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(2-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(2-methoxyphenyl)-5-[(3-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(2-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(2-methoxyphenyl)-5-[(3-nitrobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3S/c1-29-20-13-6-5-12-19(20)21-23-24-22(25(21)17-9-3-2-4-10-17)30-15-16-8-7-11-18(14-16)26(27)28/h2-14H,15H2,1H3