2-[[1-(triphenylmethyl)-1,2,3-triazol-4-yl]sulfanyl]ethyl methanesulfonate; 2-[[2-(triphenylmethyl)-1,2,3-triazol-4-yl]sulfanyl]ethyl methanesulfonate

Systemtic Name: 2-[[1-(triphenylmethyl)-1,2,3-triazol-4-yl]sulfanyl]ethyl methanesulfonate; 2-[[2-(triphenylmethyl)-1,2,3-triazol-4-yl]sulfanyl]ethyl methanesulfonate Openeye Name: 2-(1-trityltriazol-4-yl)sulfanylethyl methanesulfonate; 2-(2-trityltriazol-4-yl)sulfanylethyl methanesulfonate CAS Name: methanesulfonic acid 2-[[1-(triphenylmethyl)-4-triazolyl]thio]ethyl ester; methanesulfonic acid 2-[[2-(triphenylmethyl)-4-triazolyl]thio]ethyl ester IUPAC Name: 2-(1-trityltriazol-4-yl)sulfanylethyl methanesulfonate; 2-(2-trityltriazol-4-yl)sulfanylethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[(1-trityltriazol-4-yl)thio]ethyl ester; methanesulfonic acid 2-[(2-trityltriazol-4-yl)thio]ethyl ester Formula: C48H46N6O6S4 MolecularWeight: 931.17544

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCSC1=CN(N=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)OCCSC1=NN(N=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)OCCSC1=CN(N=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)OCCSC1=NN(N=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/2C24H23N3O3S2/c1-32(28,29)30-17-18-31-23-19-27(26-25-23)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22;1-32(28,29)30-17-18-31-23-19-25-27(26-23)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2*2-16,19H,17-18H2,1H3