3-[2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(2,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(2,4-dihydroxyphenyl)-2-oxoethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(2,4-dihydroxyphenyl)-2-keto-ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC(=O)C3=C(C=C(C=C3)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC(=O)C3=C(C=C(C=C3)O)O

InChI

InChI=1S/C18H17N3O4S/c22-13-6-7-14(15(23)10-13)16(24)11-26-18-20-19-17(25)21(18)9-8-12-4-2-1-3-5-12/h1-7,10,22-23H,8-9,11H2,(H,19,25)