6-[(2E)-3-(4-methylphenyl)-2-(1H-pyridin-2-ylidene)-7-sulfanylidene-benzimidazol-5-yl]oxyhexanoic acid

Systemtic Name: 6-[(2E)-3-(4-methylphenyl)-2-(1H-pyridin-2-ylidene)-7-sulfanylidene-benzimidazol-5-yl]oxyhexanoic acid Openeye Name: 6-[(2E)-3-(p-tolyl)-2-(1H-pyridin-2-ylidene)-7-thioxo-benzimidazol-5-yl]oxyhexanoic acid CAS Name: 6-[[(2E)-3-(4-methylphenyl)-2-(1H-pyridin-2-ylidene)-7-sulfanylidene-5-benzimidazolyl]oxy]hexanoic acid IUPAC Name: 6-[(2E)-3-(4-methylphenyl)-2-(1H-pyridin-2-ylidene)-7-sulfanylidenebenzimidazol-5-yl]oxyhexanoic acid Traditional Name: 6-[(2E)-3-(p-tolyl)-2-(1H-pyridin-2-ylidene)-7-thioxo-benzimidazol-5-yl]oxyhexanoic acid Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC(=CC(=S)C3=NC2=C4C=CC=CN4)OCCCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N\2C3=CC(=CC(=S)C3=N/C2=C/4\C=CC=CN4)OCCCCCC(=O)O

InChI

InChI=1S/C25H25N3O3S/c1-17-9-11-18(12-10-17)28-21-15-19(31-14-6-2-3-8-23(29)30)16-22(32)24(21)27-25(28)20-7-4-5-13-26-20/h4-5,7,9-13,15-16,26H,2-3,6,8,14H2,1H3,(H,29,30)/b25-20-