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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=NN(C=N1)C)N2C(CC2=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)OC(C1=NN(C=N1)C)N2C(CC2=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3S/c1-20(33)35-27(26-29-19-31(2)30-26)32-24(34)18-25(32)36-28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19,25,27H,18H2,1-2H3