2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylethyl 4-methylbenzenesulfonate Openeye Name: 2-(1-benzylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]ethyl ester IUPAC Name: 2-(1-benzylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(1-benzylbenzimidazol-2-yl)thio]ethyl ester Formula: C23H22N2O3S2 MolecularWeight: 438.56238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O3S2/c1-18-11-13-20(14-12-18)30(26,27)28-15-16-29-23-24-21-9-5-6-10-22(21)25(23)17-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3