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

Systemtic Name: 5-(4-methoxyphenyl)-3-[(2-phenoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(4-methoxyphenyl)-3-[(2-phenoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(4-methoxyphenyl)-3-[(2-phenoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-methoxyphenyl)-3-[(2-phenoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(4-methoxyphenyl)-3-[(2-phenoxybenzyl)thio]-1H-1,2,4-triazole Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S/c1-26-18-13-11-16(12-14-18)21-23-22(25-24-21)28-15-17-7-5-6-10-20(17)27-19-8-3-2-4-9-19/h2-14H,15H2,1H3,(H,23,24,25)