4-(1-methylbenzimidazol-2-yl)sulfanylbut-2-ynyl ethanoate

Systemtic Name: 4-(1-methylbenzimidazol-2-yl)sulfanylbut-2-ynyl ethanoate Openeye Name: 4-(1-methylbenzimidazol-2-yl)sulfanylbut-2-ynyl acetate CAS Name: acetic acid 4-[(1-methyl-2-benzimidazolyl)thio]but-2-ynyl ester IUPAC Name: 4-(1-methylbenzimidazol-2-yl)sulfanylbut-2-ynyl acetate Traditional Name: acetic acid 4-[(1-methylbenzimidazol-2-yl)thio]but-2-ynyl ester Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC#CCSC1=NC2=CC=CC=C2N1C

Isomeric SMILES

CC(=O)OCC#CCSC1=NC2=CC=CC=C2N1C

InChI

InChI=1S/C14H14N2O2S/c1-11(17)18-9-5-6-10-19-14-15-12-7-3-4-8-13(12)16(14)2/h3-4,7-8H,9-10H2,1-2H3