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

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(triphenylmethyl)sulfanyl-azetidin-2-one Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-tritylsulfanyl-azetidin-2-one CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-[(triphenylmethyl)thio]-2-azetidinone IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-tritylsulfanylazetidin-2-one Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(tritylthio)azetidin-2-one Formula: C27H25N3OS MolecularWeight: 439.5719

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2C(CC2=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C=C(C=N1)CN2C(CC2=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3OS/c1-29-19-21(18-28-29)20-30-25(31)17-26(30)32-27(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,18-19,26H,17,20H2,1H3