2-(benzotriazol-1-ylmethylsulfanyl)-4-oxidanyl-5-phenyl-1H-pyrimidin-6-one

Systemtic Name: 2-(benzotriazol-1-ylmethylsulfanyl)-4-oxidanyl-5-phenyl-1H-pyrimidin-6-one Openeye Name: 2-(benzotriazol-1-ylmethylsulfanyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one CAS Name: 2-(1-benzotriazolylmethylthio)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one IUPAC Name: 2-(benzotriazol-1-ylmethylsulfanyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one Traditional Name: 2-(benzotriazol-1-ylmethylthio)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one Formula: C17H13N5O2S MolecularWeight: 351.38242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(NC2=O)SCN3C4=CC=CC=C4N=N3)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(NC2=O)SCN3C4=CC=CC=C4N=N3)O

InChI

InChI=1S/C17H13N5O2S/c23-15-14(11-6-2-1-3-7-11)16(24)19-17(18-15)25-10-22-13-9-5-4-8-12(13)20-21-22/h1-9H,10H2,(H2,18,19,23,24)