4-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylbut-2-ynyl 4-bromanylbenzoate

Systemtic Name: 4-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylbut-2-ynyl 4-bromanylbenzoate Openeye Name: 4-(1-benzylbenzimidazol-2-yl)sulfanylbut-2-ynyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 4-[[1-(phenylmethyl)-2-benzimidazolyl]thio]but-2-ynyl ester IUPAC Name: 4-(1-benzylbenzimidazol-2-yl)sulfanylbut-2-ynyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 4-[(1-benzylbenzimidazol-2-yl)thio]but-2-ynyl ester Formula: C25H19BrN2O2S MolecularWeight: 491.39956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC#CCOC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC#CCOC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H19BrN2O2S/c26-21-14-12-20(13-15-21)24(29)30-16-6-7-17-31-25-27-22-10-4-5-11-23(22)28(25)18-19-8-2-1-3-9-19/h1-5,8-15H,16-18H2