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

Systemtic Name: 3-phenacylsulfanyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-(4-benzyloxyphenyl)-3-phenacylsulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-(phenacylthio)-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-phenacylsulfanyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-(4-benzoxyphenyl)-3-(phenacylthio)-1H-1,2,4-triazol-5-one Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=O)NN=C3SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=O)NN=C3SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O3S/c27-21(18-9-5-2-6-10-18)16-30-23-25-24-22(28)26(23)19-11-13-20(14-12-19)29-15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,24,28)