3-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylthio]-4-phenyl-1,2,4-triazole Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CSC3=NN=CN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CSC3=NN=CN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N5OS/c1-31-23-14-12-19(13-15-23)24-20(16-30(28-24)22-10-6-3-7-11-22)17-32-25-27-26-18-29(25)21-8-4-2-5-9-21/h2-16,18H,17H2,1H3