(E)-4-(3-butyl-7-chloranyl-imidazo[4,5-c]pyridin-4-yl)sulfanylbut-2-enoic acid

Systemtic Name: (E)-4-(3-butyl-7-chloranyl-imidazo[4,5-c]pyridin-4-yl)sulfanylbut-2-enoic acid Openeye Name: (E)-4-(3-butyl-7-chloro-imidazo[4,5-c]pyridin-4-yl)sulfanylbut-2-enoic acid CAS Name: (E)-4-[(3-butyl-7-chloro-4-imidazo[4,5-c]pyridinyl)thio]-2-butenoic acid IUPAC Name: (E)-4-(3-butyl-7-chloroimidazo[4,5-c]pyridin-4-yl)sulfanylbut-2-enoic acid Traditional Name: (E)-4-[(3-butyl-7-chloro-imidazo[4,5-c]pyridin-4-yl)thio]but-2-enoic acid Formula: C14H16ClN3O2S MolecularWeight: 325.81374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=NC=C2Cl)SCC=CC(=O)O

Isomeric SMILES

CCCCN1C=NC2=C1C(=NC=C2Cl)SC/C=C/C(=O)O

InChI

InChI=1S/C14H16ClN3O2S/c1-2-3-6-18-9-17-12-10(15)8-16-14(13(12)18)21-7-4-5-11(19)20/h4-5,8-9H,2-3,6-7H2,1H3,(H,19,20)/b5-4+