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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

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