4-(4-phenylmethoxyphenyl)-3-(phenylmethylsulfanyl)-3H-1,2,4-triazol-5-one

Systemtic Name: 4-(4-phenylmethoxyphenyl)-3-(phenylmethylsulfanyl)-3H-1,2,4-triazol-5-one Openeye Name: 4-(4-benzyloxyphenyl)-3-benzylsulfanyl-3H-1,2,4-triazol-5-one CAS Name: 4-(4-phenylmethoxyphenyl)-3-(phenylmethylthio)-3H-1,2,4-triazol-5-one IUPAC Name: 3-benzylsulfanyl-4-(4-phenylmethoxyphenyl)-3H-1,2,4-triazol-5-one Traditional Name: 4-(4-benzoxyphenyl)-3-(benzylthio)-3H-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)COC2=CC=C(C=C2)N3C(N=NC3=O)SCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(N=NC3=O)SCC4=CC=CC=C4

InChI

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