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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole Formula: C22H17FN4O3S MolecularWeight: 436.458783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])F

InChI

InChI=1S/C22H17FN4O3S/c1-30-20-12-7-15(13-19(20)23)14-31-22-25-24-21(26(22)17-5-3-2-4-6-17)16-8-10-18(11-9-16)27(28)29/h2-13H,14H2,1H3