[(1-methyl-1,2,3-triazol-4-yl)-[2-oxidanylidene-4-(triphenylmethyl)sulfanyl-azetidin-3-yl]methyl] ethanoate

Systemtic Name: [(1-methyl-1,2,3-triazol-4-yl)-[2-oxidanylidene-4-(triphenylmethyl)sulfanyl-azetidin-3-yl]methyl] ethanoate Openeye Name: [(1-methyltriazol-4-yl)-(2-oxo-4-tritylsulfanyl-azetidin-3-yl)methyl] acetate CAS Name: acetic acid [(1-methyl-4-triazolyl)-[2-oxo-4-[(triphenylmethyl)thio]-3-azetidinyl]methyl] ester IUPAC Name: [(1-methyltriazol-4-yl)-(2-oxo-4-tritylsulfanylazetidin-3-yl)methyl] acetate Traditional Name: acetic acid [[2-keto-4-(tritylthio)azetidin-3-yl]-(1-methyltriazol-4-yl)methyl] ester Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1C(NC1=O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CN(N=N5)C

Isomeric SMILES

CC(=O)OC(C1C(NC1=O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CN(N=N5)C

InChI

InChI=1S/C28H26N4O3S/c1-19(33)35-25(23-18-32(2)31-30-23)24-26(34)29-27(24)36-28(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18,24-25,27H,1-2H3,(H,29,34)