3-[(2-phenoxyphenyl)methylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S/c26-21-23-24-22(25(21)15-17-9-3-1-4-10-17)28-16-18-11-7-8-14-20(18)27-19-12-5-2-6-13-19/h1-14H,15-16H2,(H,23,26)