3-[(1-methylpyrazol-4-yl)-oxidanyl-methyl]-4-(triphenylmethyl)sulfanyl-azetidin-2-one

Systemtic Name: 3-[(1-methylpyrazol-4-yl)-oxidanyl-methyl]-4-(triphenylmethyl)sulfanyl-azetidin-2-one Openeye Name: 3-[hydroxy-(1-methylpyrazol-4-yl)methyl]-4-tritylsulfanyl-azetidin-2-one CAS Name: 3-[hydroxy-(1-methyl-4-pyrazolyl)methyl]-4-[(triphenylmethyl)thio]-2-azetidinone IUPAC Name: 3-[hydroxy-(1-methylpyrazol-4-yl)methyl]-4-tritylsulfanylazetidin-2-one Traditional Name: 3-[hydroxy-(1-methylpyrazol-4-yl)methyl]-4-(tritylthio)azetidin-2-one Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(C2C(NC2=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CN1C=C(C=N1)C(C2C(NC2=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C27H25N3O2S/c1-30-18-19(17-28-30)24(31)23-25(32)29-26(23)33-27(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18,23-24,26,31H,1H3,(H,29,32)