[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]oxan-2-yl]methyl ethanoate hydrochloride

Systemtic Name: [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]oxan-2-yl]methyl ethanoate hydrochloride Openeye Name: [(2R,3S,4S,5R,6S)-3,4,5-triacetoxy-6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]tetrahydropyran-2-yl]methyl acetate hydrochloride CAS Name: acetic acid [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-2-oxanyl]methyl ester hydrochloride IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]oxan-2-yl]methyl acetate hydrochloride Traditional Name: acetic acid [(2R,3S,4S,5R,6S)-3,4,5-triacetoxy-6-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]tetrahydropyran-2-yl]methyl ester hydrochloride Formula: C28H30ClN3O9S MolecularWeight: 620.0705

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C.Cl

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C.Cl

InChI

InChI=1S/C28H29N3O9S.ClH/c1-16(32)36-15-22-23(37-17(2)33)24(38-18(3)34)25(39-19(4)35)27(40-22)41-28-30-29-26(20-11-7-5-8-12-20)31(28)21-13-9-6-10-14-21;/h5-14,22-25,27H,15H2,1-4H3;1H/t22-,23+,24+,25-,27+;/m1./s1