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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

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