3-[(4-chlorophenyl)methylsulfanyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole Formula: C22H18ClN3OS MolecularWeight: 407.91582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)COC4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3OS/c23-18-13-11-17(12-14-18)16-28-22-25-24-21(15-27-20-9-5-2-6-10-20)26(22)19-7-3-1-4-8-19/h1-14H,15-16H2