3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-(4-benzyloxyphenyl)-3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-(4-benzoxyphenyl)-3-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClN3O3S/c24-18-8-6-17(7-9-18)21(28)15-31-23-26-25-22(29)27(23)19-10-12-20(13-11-19)30-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,25,29)