[5-[5-(2-hydroxyethylsulfanyl)benzotriazol-2-yl]-2,4-bis(oxidanyl)phenyl]-phenyl-methanone

Systemtic Name: [5-[5-(2-hydroxyethylsulfanyl)benzotriazol-2-yl]-2,4-bis(oxidanyl)phenyl]-phenyl-methanone Openeye Name: [2,4-dihydroxy-5-[5-(2-hydroxyethylsulfanyl)benzotriazol-2-yl]phenyl]-phenyl-methanone CAS Name: [2,4-dihydroxy-5-[5-(2-hydroxyethylthio)-2-benzotriazolyl]phenyl]-phenylmethanone IUPAC Name: [2,4-dihydroxy-5-[5-(2-hydroxyethylsulfanyl)benzotriazol-2-yl]phenyl]-phenylmethanone Traditional Name: [2,4-dihydroxy-5-[5-(2-hydroxyethylthio)benzotriazol-2-yl]phenyl]-phenyl-methanone Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2O)O)N3N=C4C=CC(=CC4=N3)SCCO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2O)O)N3N=C4C=CC(=CC4=N3)SCCO

InChI

InChI=1S/C21H17N3O4S/c25-8-9-29-14-6-7-16-17(10-14)23-24(22-16)18-11-15(19(26)12-20(18)27)21(28)13-4-2-1-3-5-13/h1-7,10-12,25-27H,8-9H2