5-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(4-methoxyphenyl)-3-[[4-(1-pyrazolyl)phenyl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzyl)thio]-1H-1,2,4-triazole Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C19H17N5OS/c1-25-17-9-5-15(6-10-17)18-21-19(23-22-18)26-13-14-3-7-16(8-4-14)24-12-2-11-20-24/h2-12H,13H2,1H3,(H,21,22,23)